2-(1H-benzimidazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 2039-0526 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile |
| Molecular Weight: | 324.72 |
| Molecular Formula: | C16 H9 Cl N4 O2 |
| Smiles: | C(=C(C#N)/c1nc2ccccc2[nH]1)\c1ccc(c(c1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8564 |
| logD: | 3.8556 |
| logSw: | -4.5628 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.395 |
| InChI Key: | QYNUECKCQQWOPT-UHFFFAOYSA-N |