2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile (CAS 131263-08-6) is a chemical compound with molecular formula C16H10N4O2 and molecular weight 290.08038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile
Also Known As: 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile, 1H-Benzimidazole-2-acetonitrile,a-[(2-nitrophenyl)methylene]-, 1H-Benzimidazol-2-acetonitrile, alpha((2-nitrophenyl)methylene)-, I+/--[(2-Nitrophenyl)methylene]-1H-benzimidazole-2-acetonitrile
Technical Specifications
| Molecular Formula | C16H10N4O2 |
| Molecular Weight | 290.08038 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.08038 Da |
| Heavy Atoms | 22 |
| Complexity | 504.0 |
| SMILES | C1=CC=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)[N+](=O)[O-] |
| InChIKey | YGLWLRRYYPGJDG-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile
The XLogP value of 3.1 indicates that 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile 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-(2-nitrophenyl)prop-2-enenitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile is 131263-08-6.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile is C16H10N4O2.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile is 290.08038 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile 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-(2-nitrophenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.