![2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole structure](/static/products/6812/681226-56-2.webp)
2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole
TL;DR: 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole (CAS 681226-56-2) is a chemical compound with molecular formula C22H17N5S and molecular weight 383.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
Also Known As: 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole, 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole, 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzoimidazole, 2-(((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole
| Molecular Formula | C22H17N5S |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.12045 |
| Heavy Atoms | 28 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 681226-56-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4 |
| InChIKey | LLDHFGNRQBOROK-UHFFFAOYSA-N |
Product Overview
2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole (CAS 681226-56-2), with molecular formula C22H17N5S and molecular weight 383.12 g/mol. IUPAC: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole
Property Insights of 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole
The XLogP value of 4.7 indicates that 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole. Following Lipinski's Rule of Five, 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole has 1 hydrogen bond donor(s) and 4 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-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole?
The CAS number of 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole is 681226-56-2.
What is the molecular formula of 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole?
The molecular formula of 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole is C22H17N5S.
What is the molecular weight of 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole?
The molecular weight of 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole is 383.12 g/mol.
Where can I buy 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole?
You can request a quote for 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.