3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile
Chemical Structure Depiction of
3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile
3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 2389-3215 |
| Compound Name: | 3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile |
| Molecular Weight: | 320.31 |
| Molecular Formula: | C17 H12 N4 O3 |
| Smiles: | Cn1c2ccccc2nc1C(/C#N)=C(/c1ccc(cc1)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.0322 |
| logD: | 1.8023 |
| logSw: | -3.2537 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.966 |
| InChI Key: | MHDQZKUKVVDWNB-UHFFFAOYSA-N |