4-[(E)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl]benzonitrile
Formula:C23H16N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(E)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl]benzonitrile |
| MolecularFormula | C23H16N3Cl |
| Smiles | N#Cc1ccc(/C=C/c2nc(cccc3)c3n2Cc(cccc2)c2Cl)cc1 |
| InChI | InChI=1S/C23H16ClN3/c24-20-6-2-1-5-19(20)16-27-22-8-4-3-7-21(22)26-23(27)14-13-17-9-11-18(15-25)12-10-17/h1-14H,16H2 |
| InChIK | XAZPQCJIUMSVBP-UHFFFAOYSA-N |
| TotalMolweight | 369.854 |
| Molweight | 369.854 |
| MonoisotopicMass | 369.103274 |
| CLogP | 5.2876 |
| CLogS | -5.209 |
| H Acceptors | 3 |
| TotalSurfaceArea | 292.73 |
| Relative PSA | 0.10727 |
| PolarSurfaceArea | 41.61 |
| Druglikeness | -2.2032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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