2-(Trifluoromethyl)-1H-benzimidazole
TL;DR: 2-(Trifluoromethyl)-1H-benzimidazole (CAS 312-73-2) is a chemical compound with molecular formula C8H5F3N2 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)-1H-benzimidazole
Also Known As: 2-(Trifluoromethyl)benzimidazole, 2-(trifluoromethyl)-1H-benzo[d]imidazole, 2-(Trifluoromethyl)-1H-benzimidazole, 2- benzimidazole, 4bnt
| Molecular Formula | C8H5F3N2 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.04048 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
| Solubility | >27.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 312-73-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(F)(F)F |
| InChIKey | MXFMPTXDHSDMTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trifluoromethyl)-1H-benzimidazole (CAS 312-73-2), with molecular formula C8H5F3N2 and molecular weight 186.04 g/mol. IUPAC: 2-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of 2-(Trifluoromethyl)-1H-benzimidazole
Property Insights of 2-(Trifluoromethyl)-1H-benzimidazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)-1H-benzimidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 2-(Trifluoromethyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 2-(Trifluoromethyl)-1H-benzimidazole?
The CAS number of 2-(Trifluoromethyl)-1H-benzimidazole is 312-73-2.
What is the molecular formula of 2-(Trifluoromethyl)-1H-benzimidazole?
The molecular formula of 2-(Trifluoromethyl)-1H-benzimidazole is C8H5F3N2.
What is the molecular weight of 2-(Trifluoromethyl)-1H-benzimidazole?
The molecular weight of 2-(Trifluoromethyl)-1H-benzimidazole is 186.04 g/mol.
Where can I buy 2-(Trifluoromethyl)-1H-benzimidazole?
You can request a quote for 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 2-(Trifluoromethyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.