2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole
TL;DR: 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole (CAS 321430-80-2) is a chemical compound with molecular formula C11H8F3N5 and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)-1H-benzimidazole
Also Known As: 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole, 1H-036, 2-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)-1H-benzimidazole, 2-[(1H-1,2,4-triazol-1-yl)methyl]-5-(trifluoromethyl)-1H-1,3-benzodiazole, 2-(1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzodiazole
| Molecular Formula | C11H8F3N5 |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 2.2215 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.07318 |
| Heavy Atoms | 19 |
| Complexity | 698.76544 |
Chemical Identifiers
| CAS Number | 321430-80-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CN3C=NC=N3 |
Product Overview
2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole (CAS 321430-80-2), with molecular formula C11H8F3N5 and molecular weight 267.07 g/mol. IUPAC: 2-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole
Property Insights of 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole
The XLogP value of 2.2215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole. With a topological polar surface area (TPSA) of 59.39 Ų, 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole has 1 hydrogen bond donor(s) and 3 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-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole?
The CAS number of 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole is 321430-80-2.
What is the molecular formula of 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole?
The molecular formula of 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole is C11H8F3N5.
What is the molecular weight of 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole?
The molecular weight of 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole is 267.07 g/mol.
Where can I buy 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole?
You can request a quote for 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.