2-benzyl-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
2-benzyl-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
2-benzyl-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | 3084-0220 |
| Compound Name: | 2-benzyl-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 313.36 |
| Molecular Formula: | C20 H15 N3 O |
| Smiles: | CC1=C(Cc2ccccc2)C(N2C(=C1C#N)Nc1ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4677 |
| logD: | 3.4675 |
| logSw: | -3.6829 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.288 |
| InChI Key: | JTNIGYIUHJSPQA-UHFFFAOYSA-N |