2-chloro-6-(trifluoromethyl)-1H-benzimidazole
TL;DR: 2-chloro-6-(trifluoromethyl)-1H-benzimidazole (CAS 86604-86-6) 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.
2-chloro-6-(trifluoromethyl)-1H-benzimidazole
Also Known As: 2-Chloro-5-(trifluoromethyl)benzimidazole, 2-chloro-6-(trifluoromethyl)-1H-benzimidazole, 2-chloro-6-(trifluoromethyl)benzimidazole, 2-chloro-5-(trifluoromethyl)-1H-benzo[d]imidazole, 2-chloro-6-(trifluoromethyl)-1H-benzo[d]imidazole
| Molecular Formula | C8H4ClF3N2 |
|---|---|
| Molecular Weight | 220.00 g/mol |
| LogP | 2.9 |
| 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 | 86604-86-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(F)(F)F)NC(=N2)Cl |
| InChIKey | CZQXWSPZVZKNRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-chloro-6-(trifluoromethyl)-1H-benzimidazole (CAS 86604-86-6), with molecular formula C8H4ClF3N2 and molecular weight 220.00 g/mol. IUPAC: 2-chloro-6-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of 2-chloro-6-(trifluoromethyl)-1H-benzimidazole
Property Insights of 2-chloro-6-(trifluoromethyl)-1H-benzimidazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-6-(trifluoromethyl)-1H-benzimidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 2-chloro-6-(trifluoromethyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-6-(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 2-chloro-6-(trifluoromethyl)-1H-benzimidazole?
The CAS number of 2-chloro-6-(trifluoromethyl)-1H-benzimidazole is 86604-86-6.
What is the molecular formula of 2-chloro-6-(trifluoromethyl)-1H-benzimidazole?
The molecular formula of 2-chloro-6-(trifluoromethyl)-1H-benzimidazole is C8H4ClF3N2.
What is the molecular weight of 2-chloro-6-(trifluoromethyl)-1H-benzimidazole?
The molecular weight of 2-chloro-6-(trifluoromethyl)-1H-benzimidazole is 220.00 g/mol.
Where can I buy 2-chloro-6-(trifluoromethyl)-1H-benzimidazole?
You can request a quote for 2-chloro-6-(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 2-chloro-6-(trifluoromethyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-6-(trifluoromethyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.