![5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one structure](/static/products/894/894757-99-4.png)
5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one
TL;DR: 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one (CAS 894757-99-4) is a chemical compound with molecular formula C13H16N6OS and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]benzimidazol-2-one
Also Known As: 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one, 1,3-dimethyl-5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]benzimidazol-2-one, 1,3-dimethyl-5-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one, 1,3-DIMETHYL-5-{[(3-METHYL-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-2-ONE, 1,3-dimethyl-5-{[(3-methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one
| Molecular Formula | C13H16N6OS |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 1.18321 |
| Topological Polar Surface Area | 72.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.11063 |
| Heavy Atoms | 21 |
| Complexity | 928.4196 |
Chemical Identifiers
| CAS Number | 894757-99-4 |
|---|---|
| SMILES | CC1=NNC(=S)N1NCC2=CC3=C(C=C2)N(C(=O)N3C)C |
Product Overview
5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one (CAS 894757-99-4), with molecular formula C13H16N6OS and molecular weight 304.11 g/mol. IUPAC: 1,3-dimethyl-5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]benzimidazol-2-one.
Chemical Property Profile of 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one
Property Insights of 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one
The XLogP value of 1.18321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one. The TPSA of 72.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one. Following Lipinski's Rule of Five, 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one has 2 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 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one?
The CAS number of 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one is 894757-99-4.
What is the molecular formula of 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one?
The molecular formula of 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one is C13H16N6OS.
What is the molecular weight of 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one?
The molecular weight of 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one is 304.11 g/mol.
Where can I buy 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one?
You can request a quote for 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.