![1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole structure](/static/products/330/330836-08-3.png)
1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole
TL;DR: 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole (CAS 330836-08-3) is a chemical compound with molecular formula C11H11N5S and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazole
Also Known As: 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole, 1-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazole, 1-methyl-2-[(1H-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-benzodiazole, 2-(((4H-1,2,4-triazol-3-yl)thio)methyl)-1-methyl-1H-benzo[d]imidazole
| Molecular Formula | C11H11N5S |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.07352 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 330836-08-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1CSC3=NC=NN3 |
| InChIKey | OJJUIPQWEHDHEI-UHFFFAOYSA-N |
Product Overview
1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole (CAS 330836-08-3), with molecular formula C11H11N5S and molecular weight 245.07 g/mol. IUPAC: 1-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazole.
Chemical Property Profile of 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole
Property Insights of 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole. Following Lipinski's Rule of Five, 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)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 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole?
The CAS number of 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole is 330836-08-3.
What is the molecular formula of 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole?
The molecular formula of 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole is C11H11N5S.
What is the molecular weight of 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole?
The molecular weight of 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole is 245.07 g/mol.
Where can I buy 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole?
You can request a quote for 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)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 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.