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Etravirine

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Identification
Molecular formula
C20H23N3O
CAS number
269055-15-4
IUPAC name
N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine
State
State

At room temperature, Etravirine is in a solid state. As a pharmaceutical compound, it is usually processed into tablet or capsule form for medicinal use.

Melting point (Celsius)
246.00
Melting point (Kelvin)
519.00
Boiling point (Celsius)
450.00
Boiling point (Kelvin)
723.00
General information
Molecular weight
435.55g/mol
Molar mass
435.5500g/mol
Density
1.1000g/cm3
Appearence

Etravirine typically appears as a white to off-white powder. It is practically insoluble in water, which is common for many organic compounds with complex aromatic structures.

Comment on solubility

Solubility of N,N-Diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine

The solubility of N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine can be influenced by several factors, particularly its molecular structure and interactions with solvents. Here are some key points to consider:

  • Polar vs. Nonpolar Nature: The presence of both polar and nonpolar functional groups affects solubility. The -NH and -OCH3 groups in the molecule may suggest some polar characteristics, potentially enhancing solubility in polar solvents like water.
  • Hydrogen Bonding: The ability of the compound to form hydrogen bonds may further facilitate its solubility in polar solvents. The amino groups can act as hydrogen bond donors, which could improve interactions with water molecules.
  • Alkyl Chains: The N,N-diethyl groups may confer some hydrophobic character, suggesting that the compound might be more soluble in organic solvents such as ethanol or acetone than in water.
  • Solvent Selection: When evaluating the solubility of this compound, it is critical to choose solvents based on the balance of polar and nonpolar characteristics.

In summary, the solubility of N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine is likely a complex interplay of hydrophilic and hydrophobic regions within its structure. Therefore, careful experimentation may be necessary to determine the exact solubility profile in various solvents.

Interesting facts

Exploring N,N-Diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine

N,N-Diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine, commonly referred to as a member of the benzimidazole family, is an intriguing compound due to its potential biological properties and applications in medicinal chemistry.

Highlighting Its Structure

This compound features:

  • Benzimidazole core: A bicyclic structure that is central to various pharmaceutical agents, known for its diverse biological activities.
  • Secondary amine: The presence of ethyl groups enhances lipophilicity, improving drug-like properties.
  • Methoxy substitution: The 4-methoxyphenyl group contributes to unique electronic properties, which could affect interactions within biological systems.

Potential Applications

This compound is particularly noteworthy due to its possible contributions in various fields:

  • Pharmacology: Being explored for anti-cancer, anti-inflammatory, and anti-parasitic activities.
  • Neuroscience: May exhibit properties that target specific receptors in the nervous system, hinting at potential applications in neuropharmacology.
  • Research Tools: Utilized in studies aimed at understanding cellular pathways and molecular mechanisms in biological research.

Interesting Facts

Some fascinating insights:

  • Originally derived from benzimidazole, this compound demonstrates the versatility of this class in designing novel drugs.
  • The substitution patterns on the aromatic rings can drastically affect the pharmacokinetics and pharmacodynamics of the compound.
  • Studies indicate that modifications in the nitrogen substituents could enhance biological activity or selectivity for specific targets.

In summary, N,N-Diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine is a compound that reflects the rich potential of synthetic organic chemistry and is positioned at the crossroads of innovation in medicinal chemistry. Its unique structure and properties make it a subject of growing interest within scientific communities.

Synonyms
Metodesnitazene
14030-77-4
TTR2RT8GBY
DTXSID80161305
N,N-DIETHYL-2-((4-METHOXYPHENYL)METHYL)-1H-BENZIMIDAZOLE-1-ETHANAMINE
1H-BENZIMIDAZOLE-1-ETHANAMINE, N,N-DIETHYL-2-((4-METHOXYPHENYL)METHYL)-
N,N-diethyl-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole-1-ethanamine
DTXCID1083796
NSC659139
BENZIMIDAZOLE, 1-(2-(DIETHYLAMINO)ETHYL)-2-(p-METHOXYBENZYL)-
1-(2-Diethylaminoethyl)-2-(p-methoxybenzyl)benzimidazole
N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine
BRN 0765000
N,N-diethyl-2-[2-(4-methoxybenzyl)-1H-benzimidazol-1-yl]ethanamine
N,N-Diethyl-2-(2-(4-methoxybenzyl)-1H-benzimidazol-1-yl)ethanamine
UNII-TTR2RT8GBY
5-23-12-00346 (Beilstein Handbook Reference)
CHEMBL1999174
CHEBI:234370
DEA NO. 9764
1-[2-(Diethylamino)ethyl]-2-(p-methoxybenzyl)-1H-benzimidazole
NSC-659139
NCI60_020810
N,N-diethyl-2-(2-(4-methoxybenzyl)-1H-benzimidazol-1-yl)ethan-1-amine
N,N-Diethyl-N-(2-(2-(4-methoxybenzyl)-1H-benzimidazol-1-yl)ethyl)amine
N,N-diethyl-2-{2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-1-yl}ethan-1-amine