Benzimidazole, 5-iodo-2-(trifluoromethyl)-
TL;DR: Benzimidazole, 5-iodo-2-(trifluoromethyl)- (CAS 3765-86-4) is a chemical compound with molecular formula C8H4F3IN2 and molecular weight 311.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-iodo-2-(trifluoromethyl)-1H-benzimidazole
Also Known As: 5-Iodo-2-(trifluoromethyl)-1H-benzo[d]imidazole, BENZIMIDAZOLE, 5-IODO-2-(TRIFLUOROMETHYL)-, 5-Iodo-2-(trifluoromethyl)benzimidazole, 6-iodo-2-(trifluoromethyl)-1H-benzimidazole, INDOLE, 3-(2-PYRROLIDINYL)-
| Molecular Formula | C8H4F3IN2 |
|---|---|
| Molecular Weight | 311.94 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 311.93713 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 3765-86-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1I)NC(=N2)C(F)(F)F |
| InChIKey | VWPQFAPZLPFZDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzimidazole, 5-iodo-2-(trifluoromethyl)- (CAS 3765-86-4), with molecular formula C8H4F3IN2 and molecular weight 311.94 g/mol. IUPAC: 6-iodo-2-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of Benzimidazole, 5-iodo-2-(trifluoromethyl)-
Property Insights of Benzimidazole, 5-iodo-2-(trifluoromethyl)-
The XLogP value of 3.0 indicates that Benzimidazole, 5-iodo-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-iodo-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazole, 5-iodo-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-iodo-2-(trifluoromethyl)-?
The CAS number of Benzimidazole, 5-iodo-2-(trifluoromethyl)- is 3765-86-4.
What is the molecular formula of Benzimidazole, 5-iodo-2-(trifluoromethyl)-?
The molecular formula of Benzimidazole, 5-iodo-2-(trifluoromethyl)- is C8H4F3IN2.
What is the molecular weight of Benzimidazole, 5-iodo-2-(trifluoromethyl)-?
The molecular weight of Benzimidazole, 5-iodo-2-(trifluoromethyl)- is 311.94 g/mol.
Where can I buy Benzimidazole, 5-iodo-2-(trifluoromethyl)-?
You can request a quote for Benzimidazole, 5-iodo-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-iodo-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 5-iodo-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.