![2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole structure](/static/products/862/862185-76-0.png)
2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole
TL;DR: 2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole (CAS 862185-76-0) is a chemical compound with molecular formula C20H19N5OS and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole, 2-[4-Allyl-5-(3-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-1H-benzoimidazole, 2-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
| Molecular Formula | C20H19N5OS |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 4.3083 |
| Topological Polar Surface Area | 68.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.13104 |
| Heavy Atoms | 27 |
| Complexity | 1051.8729 |
Chemical Identifiers
| CAS Number | 862185-76-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4N3 |
Product Overview
2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole (CAS 862185-76-0), with molecular formula C20H19N5OS and molecular weight 377.13 g/mol. IUPAC: 2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole
Property Insights of 2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole
The XLogP value of 4.3083 indicates that 2-(((4-allyl-5-(3-methoxyphenyl)-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. The TPSA of 68.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole. Following Lipinski's Rule of Five, 2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole has 1 hydrogen bond donor(s) and 5 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 2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole?
The CAS number of 2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole is 862185-76-0.
What is the molecular formula of 2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole?
The molecular formula of 2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole is C20H19N5OS.
What is the molecular weight of 2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole?
The molecular weight of 2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole is 377.13 g/mol.
Where can I buy 2-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole?
You can request a quote for 2-(((4-allyl-5-(3-methoxyphenyl)-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-(((4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(((4-allyl-5-(3-methoxyphenyl)-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.