1-(4-chlorophenyl)-3-[(E)-2-(3-chlorophenyl)ethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Formula:C26H15N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1-(4-chlorophenyl)-3-[(E)-2-(3-chlorophenyl)ethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile is not a drug-like molecule.
| MolName | 1-(4-chlorophenyl)-3-[(E)-2-(3-chlorophenyl)ethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile |
| MolecularFormula | C26H15N3Cl2 |
| Smiles | N#Cc1c(/C=C/c2cccc(Cl)c2)cc(-c(cc2)ccc2Cl)n2c1nc1c2cccc1 |
| InChI | InChI=1S/C26H15Cl2N3/c27-20-12-10-18(11-13-20)25-15-19(9-8-17-4-3-5-21(28)14-17)22(16-29)26-30-23-6-1-2-7-24(23)31(25)26/h1-15H |
| InChIK | FSWMXHBUCZOOAA-UHFFFAOYSA-N |
| TotalMolweight | 440.332 |
| Molweight | 440.332 |
| MonoisotopicMass | 439.064301 |
| CLogP | 7.0463 |
| CLogS | -10.452 |
| H Acceptors | 3 |
| TotalSurfaceArea | 330.44 |
| Relative PSA | 0.098293 |
| PolarSurfaceArea | 41.09 |
| Druglikeness | -2.8109 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-(4-chlorophenyl)-3-[(E)-2-(3-chlorophenyl)ethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile | 2 - 1-(4-chlorophenyl)-3-[(E)-2-(3-chlorophenyl)ethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
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