3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzonitrile
Chemical Structure Depiction of
3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzonitrile
3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzonitrile
Compound characteristics
| Compound ID: | D487-0495 |
| Compound Name: | 3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzonitrile |
| Molecular Weight: | 315.33 |
| Molecular Formula: | C18 H13 N5 O |
| Smiles: | C1C(C(=C(N)N1c1cccc(C#N)c1)c1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0749 |
| logD: | 2.0748 |
| logSw: | -2.9052 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.047 |
| InChI Key: | SQDGVUVUXFAZSN-UHFFFAOYSA-N |