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Flibanserin

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Identification
Molecular formula
C20H21F3N4O
CAS number
167933-07-5
IUPAC name
3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
State
State

Flibanserin is generally in a solid-state at room temperature.

Melting point (Celsius)
163.50
Melting point (Kelvin)
436.65
Boiling point (Celsius)
700.00
Boiling point (Kelvin)
973.15
General information
Molecular weight
390.42g/mol
Molar mass
390.4170g/mol
Density
1.3220g/cm3
Appearence

Flibanserin is a white to off-white crystalline solid. It is notable for its distinct crystal structure.

Comment on solubility

Solubility of 3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one

The compound 3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one (C20H21F3N4O) exhibits unique solubility characteristics that can greatly influence its practical applications. Understanding the solubility profile of such compounds is essential, especially when considering formulations and biological interactions.

Factors Influencing Solubility

Several key factors contribute to the solubility of this compound:

  • Molecular Structure: The presence of multiple functional groups can create a balance between hydrophilic and hydrophobic characteristics.
  • Polarity: The polar groups in the structure can enhance solubility in polar solvents, while nonpolar segments may favor solubility in nonpolar media.
  • Temperature: Solubility typically increases with temperature, impacting the compound’s solubility in different environments.
  • pH Levels: The compound's solubility may vary with changes in pH, particularly if it contains acidic or basic functional groups.

Expected Solubility Behavior

While the exact solubility characteristics for this specific compound may vary, a general observation can be made:

  • It is likely to show moderate solubility in polar solvents such as dimethyl sulfoxide (DMSO) or dimethylformamide (DMF).
  • Its solubility in water may be limited due to the presence of bulky hydrophobic groups.

In conclusion, the solubility of 3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one is influenced by a complex interplay of structural, thermal, and environmental factors. Careful consideration of these aspects will be crucial for researchers and formulators working with this compound.

Interesting facts

Interesting Facts about 3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one

This compound, often referred to as a complex organic molecule, belongs to the class of benzimidazolones. Its intricate structure allows for a rich variety of chemical interactions and biological activities. Here are some notable aspects:

  • Pharmaceutical Relevance: Many compounds featuring a benzimidazole or benzimidazol-2-one core demonstrate valuable pharmacological properties, including antibacterial, antifungal, and anticancer activities. This particular compound may have similar therapeutic potentials.
  • Fluorine Influence: The presence of a fluoro group (−F) is significant as fluorine atoms can enhance the lipophilicity and metabolic stability of the compound, potentially leading to improved efficacy in pharmaceutical applications.
  • Pyridine Component: The inclusion of a pyridine ring adds to the complexity and electronic properties of the compound, often influencing its solubility and reactivity, which are crucial for drug design and synthesis.
  • Structure-Activity Relationship: The detailed structure, including the butyl side-chain and the characteristic ring systems, can lead to intriguing structure-activity relationship (SAR) studies, aiding researchers in discovering new active structures.
  • Potential Applications: Given its elaborate structure, this compound could be explored for various applications beyond pharmaceuticals, including agricultural chemicals or materials science.

As the field of medicinal chemistry continues to evolve, compounds like this one illustrate the fascinating complexities of molecular design that scientists explore. The ability to manipulate multi-functional groups in a compound allows for innovative approaches to drug development.

In essence, this compound serves as a fine example of how modern chemistry blends creativity and science to unravel new pathways in medicinal research and applications.

Synonyms
droperidol
548-73-2
Droleptan
Dehydrobenzperidol
Inapsine
Dridol
Properidol
Sintodril
Sintosian
Halkan
Inapsin
Vetkalm
Deidrobenzperidolo
Inopsin
McN-JR-4749
Inappin
Innovan
Innovar
Inoval
Droperidolo
Droperidolum
Dehidrobenzperidol
Dihidrobenzperidol
Dehydrobenzoperidol
Leptofen
Thalamanol
Thalamonal
Innovar-vet
R-4749
McN-JR 4749
R 4749
NSC 169874
Droperidolum [INN-Latin]
component of Innovar
1-(1-(3-(p-Fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone
CCRIS 9070
HSDB 3320
1-(1-(4-(p-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone
3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
R4749
EINECS 208-957-8
UNII-O9U0F09D5X
NSC-169874
BRN 0579168
CHEBI:4717
O9U0F09D5X
DTXSID6022973
NSC169874
2H-Benzimidazol-2-one, 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1,3-dihydro-
CHEMBL1108
MLS000028671
DTXCID302973
1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
2H-Benzimidazol-2-one, 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-
INNOVAR COMPONENT DROPERIDOL
5-24-02-00388 (Beilstein Handbook Reference)
MFCD00083290
1-[1-[3-(p-Fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone
1-{1-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1,3-dihydro-benzoimidazol-2-one
Droperidol [USAN:USP:INN:BAN:JAN]
NCGC00016504-01
CAS-548-73-2
Droperidolo [DCIT]
SMR000058855
Droperidolum (INN-Latin)
DROPERIDOL (MART.)
DROPERIDOL [MART.]
2-Benzimidazolinone, 1-(1-(3-(p-fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-
DROPERIDOL (USP-RS)
DROPERIDOL [USP-RS]
C22H22FN3O2
1-(1-(4-(4-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1,3-dihydro-2H-benzimidazol-2-one
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl}-2,3-dihydro-1H-benzo[d]imidazol-2-one
DROPERIDOL (EP MONOGRAPH)
DROPERIDOL [EP MONOGRAPH]
Neurolidol
DROPERIDOL (USP MONOGRAPH)
DROPERIDOL [USP MONOGRAPH]
Ina.psi.ne
Droperidol (USAN:USP:INN:BAN:JAN)
Ina.psi.n
Ino.psi.n
1-[1-[4-(p-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone
2-Benzimidazolinone, 1-[1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-
Droleptan (TN)
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{H}-benzimidazol-2-one
SR-05000001546
INAPSINE (TN)
1-(1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone
1-(1-(4-(4-Fluoro-phenyl)-4-oxo-butyl)-1,2,3,6-tetrahydro-pyridin-4-yl)-1,3-dihydro-benzoimidazol-2-one
1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-2,3-dihydro-1H-benzo(d)imidazol-2-one
1-(1-(4-(4-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one
Droperidol; 1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one
Prestwick_705
Innovar (Salt/Mix)
HS-0065
Leptanal (Salt/Mix)
Leptofen (Salt/Mix)
Droperidol (Standard)
Spectrum_001220
Thalamonal (Salt/Mix)
DROPERIDOL [MI]
DROPERIDOL [INN]
DROPERIDOL [JAN]
Innovar-vet (Salt/Mix)
Opera_ID_1751
Prestwick0_000360
Prestwick1_000360
Prestwick2_000360
Prestwick3_000360
Spectrum2_001386
Spectrum3_001426
Spectrum4_000407
Spectrum5_001305
DROPERIDOL [HSDB]
DROPERIDOL [USAN]
DROPERIDOL [VANDF]
DROPERIDOL [WHO-DD]
SCHEMBL41426
BSPBio_000459
BSPBio_003132
KBioGR_000674
KBioSS_001700
MLS000758203
MLS001148120
MLS001424134
MLS002153445
DivK1c_000103
SPECTRUM1501002
SPBio_001372
SPBio_002380
BPBio1_000505
Droperidol (JP18/USP/INN)
GTPL7172
DROPERIDOL [GREEN BOOK]
DROPERIDOL [ORANGE BOOK]
HMS500F05
HY-B1240R
KBio1_000103
KBio2_001700
KBio2_004268
KBio2_006836
KBio3_002352
N01AX01
N05AD08
NINDS_000103
HMS1569G21
HMS1921B03
HMS2051L06
HMS2092O16
HMS2096G21
HMS2232M09
HMS3374B05
HMS3393L06
HMS3652M12
HMS3713G21
HMS3885N03
Pharmakon1600-01501002
HY-B1240
Tox21_110461
BDBM50017705
CCG-39004
NSC757819
s4096
STL453109
AKOS015960779
DROPERIDOL COMPONENT OF INNOVAR
Tox21_110461_1
AC-3537
CCG-101004
CS-4886
DB00450
FF22616
NC00254
NSC-757819
1-1-[3-(p-Fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl-2-benzimidazolinone
3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
IDI1_000103
NCGC00016504-02
NCGC00016504-03
NCGC00016504-04
NCGC00016504-05
NCGC00016504-06
NCGC00016504-09
NCGC00016504-17
NCGC00094884-01
NCGC00094884-02
DA-52701
SBI-0051628.P002
Droperidol 1.0 mg/ml in Dimethyl Sulfoxide
NS00000026
SW220019-1
D00308
EN300-127036
F17346
AB00052191_04
AB00052191_05
WLN: T56 BMVNJ D3- DT6N CUTJ A3VR DF
A830387
L001006
Q174259
SR-05000001546-1
SR-05000001546-2
SR-05000001546-3
BRD-K97158071-001-05-8
BRD-K97158071-001-08-2
BRD-K97158071-001-17-3
BRD-K97158071-001-18-1
Z1592690523
Droperidol, British Pharmacopoeia (BP) Reference Standard
Droperidol, European Pharmacopoeia (EP) Reference Standard
Droperidol, United States Pharmacopeia (USP) Reference Standard
2H-Benzimidazol-2-one,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-
1-[1-[3-(p-Fluorobenzoyl)propyl]-1,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone
1-[1-[4-(p-Fluorophenyl)-4-oxobutyl]-1,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone
1-1-[3-(p-Fluorobenzoyl)propyl]-1,3,6-tetrahydro-4-pyridyl-2-benzimidazolinone
gamma-[4-(2-oxo-1-benzimidazolinyl)-1,2,3,6-tetrahydro-1-pyridyl]-p-fluorobutyrophenone
1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one
1-(1-(4-(P-FLUOROPHENYL-4-OXOBUTYL)-1,2,3,6-TETRAHYDRO- 4-PYRIDYL)-2-BENZIMIDAZOLINONE
1-(4-fluorophenyl)-4-[4-(2-hydroxy-1H-1,3-benzodiazol-1-yl)-1,2,3,6-tetrahydropyridin-1-yl]butan-1-one
1-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-3H-benzoimidazol-2-one
1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-2H-benzimidazol-2-one;Dehydrobenzperidol;Dridol
1-{1-[4-(4-Chloro-phenyl)-4-oxo-butyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1,3-dihydro-benzoimidazol-2-one(Droperidol)
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one
208-957-8
3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
USS