5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole
TL;DR: 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole (CAS 849008-81-7) is a chemical compound with molecular formula C22H15Cl2N5S and molecular weight 451.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole, 2-(((5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-({[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-1,3-benzodiazole, 2-({[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole, 2-[[5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
| Molecular Formula | C22H15Cl2N5S |
|---|---|
| Molecular Weight | 451.04 g/mol |
| LogP | 6.4097 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.0425 |
| Heavy Atoms | 30 |
| Complexity | 1294.1439 |
Chemical Identifiers
| CAS Number | 849008-81-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=NC5=CC=CC=C5N4)Cl |
Product Overview
5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole (CAS 849008-81-7), with molecular formula C22H15Cl2N5S and molecular weight 451.04 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole
Property Insights of 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole
The XLogP value of 6.4097 indicates that 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-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, 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-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 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole?
The CAS number of 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole is 849008-81-7.
What is the molecular formula of 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole?
The molecular formula of 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole is C22H15Cl2N5S.
What is the molecular weight of 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole?
The molecular weight of 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole is 451.04 g/mol.
Where can I buy 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole?
You can request a quote for 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-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 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzimidazol-2-ylmethylthio)-3-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-tr iazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.