1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide
TL;DR: 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide (CAS 577982-31-1) is a chemical compound with molecular formula C22H18N6S and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide, 2-(((5-(Pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-(5-Pyridin-4-yl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-1H-benzoimidazole, 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole, 3-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)-5-(4-pyridyl)-1,2,4-triazol e
| Molecular Formula | C22H18N6S |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 4.80632 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.13138 |
| Heavy Atoms | 29 |
| Complexity | 1224.7223 |
Chemical Identifiers
| CAS Number | 577982-31-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC=NC=C5 |
Product Overview
1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide (CAS 577982-31-1), with molecular formula C22H18N6S and molecular weight 398.13 g/mol. IUPAC: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide
Property Insights of 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide
The XLogP value of 4.80632 indicates that 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide. Following Lipinski's Rule of Five, 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide 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 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide?
The CAS number of 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide is 577982-31-1.
What is the molecular formula of 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide?
The molecular formula of 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide is C22H18N6S.
What is the molecular weight of 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide?
The molecular weight of 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide is 398.13 g/mol.
Where can I buy 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide?
You can request a quote for 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.