3-(4-oxo-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl)propanenitrile
Chemical Structure Depiction of
3-(4-oxo-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl)propanenitrile
3-(4-oxo-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl)propanenitrile
Compound characteristics
| Compound ID: | D718-0676 |
| Compound Name: | 3-(4-oxo-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl)propanenitrile |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C19 H14 N4 O |
| Smiles: | C(CC1=C(c2ccccc2)Nc2nc3ccccc3n2C1=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.5233 |
| logD: | 2.4576 |
| logSw: | -2.8359 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.23 |
| InChI Key: | CVZJVFQLZYCIQY-UHFFFAOYSA-N |