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6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole

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Identification
Molecular formula
C12H13F3N2
CAS number
118080-89-4
IUPAC name
6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole
State
State
At room temperature, 6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole is typically a solid. It is stable under standard conditions and does not degrade quickly.
Melting point (Celsius)
172.50
Melting point (Kelvin)
445.65
Boiling point (Celsius)
383.20
Boiling point (Kelvin)
656.15
General information
Molecular weight
254.28g/mol
Molar mass
254.2780g/mol
Density
1.2860g/cm3
Appearence
6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole typically appears as a white to off-white powder.

It can exist in a crystalline form depending on the temperature and other environmental conditions.

Comment on solubility

Solubility of 6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole

6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole is a compound with notable characteristics when it comes to solubility. In organic chemistry, the solubility of a compound is heavily influenced by its molecular structure, functional groups, and environmental factors. Here are some key points regarding the solubility of this compound:

  • Polarity: The presence of the trifluoromethyl group enhances the compound's polarity, potentially increasing its solubility in polar solvents.
  • Hydrophobic Interactions: The tert-butyl group tends to resist solvation in polar environments, suggesting that the compound may have limited solubility in water.
  • Solvent Dependence: While it may exhibit low solubility in water, organic solvents like methanol and ethanol could provide a better solvation environment.
  • Thermodynamic Factors: Solubility can also be affected by temperature and pressure, showing different behavior as these conditions change.

In summary, while 6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole may demonstrate limited solubility in aqueous solutions due to its hydrophobic characteristics, its interactions with organic solvents are likely more favorable. As stated, "the solubility of a compound is a complex interplay of molecular interactions," making it a fascinating area of study.

Interesting facts

Exploring 6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole

6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole is a fascinating compound that belongs to the benzimidazole family, which is known for its diverse biological activities. This particular compound has drawn the attention of scientists due to its unique structural features and potential applications in various fields.

Key Characteristics

  • Pharmaceutical Potential: Compounds in the benzimidazole class are often investigated for their therapeutic properties, including anti-inflammatory, antiparasitic, and anti-cancer effects. The presence of both a tert-butyl group and a trifluoromethyl group can enhance bioavailability and modulate receptor interactions.
  • Fluorine's Role: The trifluoromethyl group is not merely for decoration; it significantly influences the compound's electronic properties and lipophilicity, making it a prime candidate for drug design.
  • Versatile Synthetic Pathways: The synthesis of 6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole can be approached through various methods, including substitution reactions which allow for the introduction of functional groups at specific positions, highlighting its versatility for further modifications.

As with many organic compounds, understanding the structure-activity relationship (SAR) is critical. Analyzing such compounds helps researchers predict how structural changes can affect biological activity. This is particularly important in drug development, where small modifications can lead to significant enhancements in efficacy or reduced side effects.

In summary, 6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole presents intriguing possibilities for researchers, and its study can lead to advancements in medicinal chemistry. As emphasized in the world of chemical research, "Small changes can lead to big discoveries." The ongoing exploration into its mechanisms and potential applications is sure to yield exciting results.

Synonyms
BENZIMIDAZOLE, 5-tert-BUTYL-2-(TRIFLUOROMETHYL)-
BRN 0916730
3671-67-8
5-tert-Butyl-2-(trifluoromethyl)benzimidazole
DTXSID60190173
DTXCID70112664
5-(tert-Butyl)-2-(trifluoromethyl)-1H-benzo[d]imidazole
SCHEMBL13483956
AOWYBSYMYIAJEV-UHFFFAOYSA-N