3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole
TL;DR: 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole (CAS 861111-36-6) is a chemical compound with molecular formula C23H18ClN5S and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole, 2-(((4-(4-chlorophenyl)-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-({[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-1,3-benzodiazole, 2-({[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole, 2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
| Molecular Formula | C23H18ClN5S |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 6.06472 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.09714 |
| Heavy Atoms | 30 |
| Complexity | 1290.2095 |
Chemical Identifiers
| CAS Number | 861111-36-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=NC5=CC=CC=C5N4 |
Product Overview
3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole (CAS 861111-36-6), with molecular formula C23H18ClN5S and molecular weight 431.10 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole
Property Insights of 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole
The XLogP value of 6.06472 indicates that 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.39 Ų, 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole?
The CAS number of 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole is 861111-36-6.
What is the molecular formula of 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole?
The molecular formula of 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole is C23H18ClN5S.
What is the molecular weight of 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole?
The molecular weight of 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole is 431.10 g/mol.
Where can I buy 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole?
You can request a quote for 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-tr iazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.