4-[(E)-2-(1-benzylbenzimidazol-2-yl)ethenyl]benzonitrile
Formula:C23H17N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-(1-benzylbenzimidazol-2-yl)ethenyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(E)-2-(1-benzylbenzimidazol-2-yl)ethenyl]benzonitrile |
| MolecularFormula | C23H17N3 |
| Smiles | N#Cc1ccc(/C=C/c2nc(cccc3)c3n2Cc2ccccc2)cc1 |
| InChI | InChI=1S/C23H17N3/c24-16-19-12-10-18(11-13-19)14-15-23-25-21-8-4-5-9-22(21)26(23)17-20-6-2-1-3-7-20/h1-15H,17H2 |
| InChIK | BISVZBNAVUGLBM-UHFFFAOYSA-N |
| TotalMolweight | 335.409 |
| Molweight | 335.409 |
| MonoisotopicMass | 335.142247 |
| CLogP | 4.6816 |
| CLogS | -4.473 |
| H Acceptors | 3 |
| TotalSurfaceArea | 277.31 |
| Relative PSA | 0.11323 |
| PolarSurfaceArea | 41.61 |
| Druglikeness | -2.24 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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