1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol
TL;DR: 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol (CAS 565165-39-1) is a chemical compound with molecular formula C15H11F3N2S and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-(trifluoromethyl)-1H-benzimidazole-2-thione
Also Known As: 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol, 1-benzyl-5-(trifluoromethyl)-1H-benzimidazole-2-thiol, 3-benzyl-6-(trifluoromethyl)-1H-benzimidazole-2-thione, 1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazole-2-thiol, 1-Benzyl-5-(trifluoromethyl)-1H-benzo[d]imidazole-2-thiol
| Molecular Formula | C15H11F3N2S |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 4.76599 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.0595 |
| Heavy Atoms | 21 |
| Complexity | 831.48627 |
Chemical Identifiers
| CAS Number | 565165-39-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)NC2=S |
Product Overview
1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol (CAS 565165-39-1), with molecular formula C15H11F3N2S and molecular weight 308.06 g/mol. IUPAC: 3-benzyl-6-(trifluoromethyl)-1H-benzimidazole-2-thione.
Chemical Property Profile of 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol
Property Insights of 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol
The XLogP value of 4.76599 indicates that 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.72 Ų, 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol has 1 hydrogen bond donor(s) and 1 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 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol?
The CAS number of 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol is 565165-39-1.
What is the molecular formula of 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol?
The molecular formula of 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol is C15H11F3N2S.
What is the molecular weight of 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol?
The molecular weight of 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol is 308.06 g/mol.
Where can I buy 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol?
You can request a quote for 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-5-trifluoromethyl-1H-benzoimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.