![2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole structure](/static/products/899/899404-85-4.png)
2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole
TL;DR: 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole (CAS 899404-85-4) is a chemical compound with molecular formula C22H16ClN5S and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-({[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole, 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole, 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzoimidazole, 3-(benzimidazol-2-ylmethylthio)-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole
| Molecular Formula | C22H16ClN5S |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 5.7563 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.08148 |
| Heavy Atoms | 29 |
| Complexity | 1245.8724 |
Chemical Identifiers
| CAS Number | 899404-85-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC(=CC=C5)Cl |
Product Overview
2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole (CAS 899404-85-4), with molecular formula C22H16ClN5S and molecular weight 417.08 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole
Property Insights of 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole
The XLogP value of 5.7563 indicates that 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.39 Ų, 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole 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 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole?
The CAS number of 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole is 899404-85-4.
What is the molecular formula of 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole?
The molecular formula of 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole is C22H16ClN5S.
What is the molecular weight of 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole?
The molecular weight of 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole is 417.08 g/mol.
Where can I buy 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole?
You can request a quote for 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.