2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile (CAS 57320-11-3) is a chemical compound with molecular formula C12H11N3 and molecular weight 197.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile
Also Known As: 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile, 2-(1H-1,3-BENZODIAZOL-2-YL)-3-METHYLBUT-2-ENENITRILE, 2-Oxa-bicyclo<2.2.1>heptan-3-on, 2-benzimidazol-2-yl-3-methylbut-2-enenitrile, 2-(1H-benzoimidazol-2-yl)-3-methyl-but-2-enenitrile
| Molecular Formula | C12H11N3 |
|---|---|
| Molecular Weight | 197.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.09529 |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 57320-11-3 |
|---|---|
| SMILES | CC(=C(C#N)C1=NC2=CC=CC=C2N1)C |
| InChIKey | YDQBOJSTBJSEFL-UHFFFAOYSA-N |
Product Overview
2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile (CAS 57320-11-3), with molecular formula C12H11N3 and molecular weight 197.10 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile. With a topological polar surface area (TPSA) of 52.5 Ų, 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile has 1 hydrogen bond donor(s) and 2 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-benzimidazol-2-yl)-3-methylbut-2-enenitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile is 57320-11-3.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile is C12H11N3.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile is 197.10 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-methylbut-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.