Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)-
TL;DR: Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)- (CAS 3671-67-8) is a chemical compound with molecular formula C12H13F3N2 and molecular weight 242.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole
Also Known As: 5-tert-Butyl-2-(trifluoromethyl)benzimidazole, BENZIMIDAZOLE, 5-tert-BUTYL-2-(TRIFLUOROMETHYL)-, 5-(tert-Butyl)-2-(trifluoromethyl)-1H-benzo[d]imidazole, 6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole, 6-tert-Butyl-2-(trifluoromethyl)-1H-1,3-benzimidazole
| Molecular Formula | C12H13F3N2 |
|---|---|
| Molecular Weight | 242.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.10309 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 3671-67-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C(F)(F)F |
| InChIKey | AOWYBSYMYIAJEV-UHFFFAOYSA-N |
Product Overview
Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)- (CAS 3671-67-8), with molecular formula C12H13F3N2 and molecular weight 242.10 g/mol. IUPAC: 6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)-
Property Insights of Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)-
The XLogP value of 4.1 indicates that Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)-?
The CAS number of Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)- is 3671-67-8.
What is the molecular formula of Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)-?
The molecular formula of Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)- is C12H13F3N2.
What is the molecular weight of Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)-?
The molecular weight of Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)- is 242.10 g/mol.
Where can I buy Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)-?
You can request a quote for Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.