TL;DR: (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(2,4-dichlorophenyl)acrylonitrile (CAS 1192838-97-3) is a chemical compound with molecular formula C16H9Cl2N3 and molecular weight 313.01736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
Also Known As: VU0510096-1, (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(2,4-dichlorophenyl)acrylonitrile, (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile, (E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile, F3139-0719
| Molecular Formula | C16H9Cl2N3 |
| Molecular Weight | 313.01736 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.01736 Da |
| Heavy Atoms | 21 |
| Complexity | 456.0 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/C#N |
| InChIKey | ZOOMGSGAWFAUPJ-YRNVUSSQSA-N |
The XLogP value of 4.6 indicates that (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(2,4-dichlorophenyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(2,4-dichlorophenyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(2,4-dichlorophenyl)acrylonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(2,4-dichlorophenyl)acrylonitrile is 1192838-97-3.
The molecular formula of (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(2,4-dichlorophenyl)acrylonitrile is C16H9Cl2N3.
The molecular weight of (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(2,4-dichlorophenyl)acrylonitrile is 313.01736 g/mol.
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