4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole
TL;DR: 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole (CAS 4228-89-1) is a chemical compound with molecular formula C8H3Cl2F3N2 and molecular weight 253.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dichloro-2-(trifluoromethyl)-1H-benzimidazole
Also Known As: BENZIMIDAZOLE, 4,7-DICHLORO-2-(TRIFLUOROMETHYL)-, 4,7-dichloro-2-(trifluoromethyl)-1H-benzimidazole, 4,7-Dichloro-2-(trifluoromethyl)benzimidazole, 5-23-06-00354 (Beilstein Handbook Reference), 4,7-Dichloro-2-(trifluoromethyl)-1H-benzo[d]imidazole
| Molecular Formula | C8H3Cl2F3N2 |
|---|---|
| Molecular Weight | 253.96 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 | 253.96254 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 4228-89-1 |
|---|---|
| SMILES | C1=CC(=C2C(=C1Cl)NC(=N2)C(F)(F)F)Cl |
| InChIKey | QECRKWYIIQPMPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole (CAS 4228-89-1), with molecular formula C8H3Cl2F3N2 and molecular weight 253.96 g/mol. IUPAC: 4,7-dichloro-2-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole
Property Insights of 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Dichloro-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 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole?
The CAS number of 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole is 4228-89-1.
What is the molecular formula of 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole?
The molecular formula of 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole is C8H3Cl2F3N2.
What is the molecular weight of 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole?
The molecular weight of 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole is 253.96 g/mol.
Where can I buy 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole?
You can request a quote for 4,7-Dichloro-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 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Dichloro-2-(trifluoromethyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.