2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile (CAS 1157954-66-9) is a chemical compound with molecular formula C17H11N3O2 and molecular weight 289.0851 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile
Also Known As: CDS1_000958, 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile, BAS 00347802, AB00083414-01, (E)-2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile
Technical Specifications
| Molecular Formula | C17H11N3O2 |
| Molecular Weight | 289.0851 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 70.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.0851 Da |
| Heavy Atoms | 22 |
| Complexity | 497.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3 |
| InChIKey | OLEHBLSQRIAMFP-KPKJPENVSA-N |
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile
The XLogP value of 3.1 indicates that 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile 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
What is the CAS number of 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile is 1157954-66-9.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile is C17H11N3O2.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile is 289.0851 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.