6-Chloro-2-(trifluoromethyl)-1H-benzimidazole
TL;DR: 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole (CAS 656-49-5) is a chemical compound with molecular formula C8H4ClF3N2 and molecular weight 220.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-(trifluoromethyl)-1H-benzimidazole
Also Known As: 5-Chloro-2-(trifluoromethyl)benzimidazole, 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole, ChemDiv3_000552, Diphenyl p-tolyl phosphate, 5-chloro-2-(trifluoromethyl)-1H-benzo[d]imidazole
| Molecular Formula | C8H4ClF3N2 |
|---|---|
| Molecular Weight | 220.00 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.00151 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 656-49-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC(=N2)C(F)(F)F |
| InChIKey | OQKQEDXERMELRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-2-(trifluoromethyl)-1H-benzimidazole (CAS 656-49-5), with molecular formula C8H4ClF3N2 and molecular weight 220.00 g/mol. IUPAC: 6-chloro-2-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole
Property Insights of 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole
The XLogP value of 3.4 indicates that 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole 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 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole?
The CAS number of 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole is 656-49-5.
What is the molecular formula of 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole?
The molecular formula of 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole is C8H4ClF3N2.
What is the molecular weight of 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole?
The molecular weight of 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole is 220.00 g/mol.
Where can I buy 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole?
You can request a quote for 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-(trifluoromethyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.