N-[(E)-1-(1H-benzimidazol-2-yl)-2-phenylethenyl]benzamide
Formula:C22H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-1-(1H-benzimidazol-2-yl)-2-phenylethenyl]benzamide is a drug-like molecule.
| MolName | N-[(E)-1-(1H-benzimidazol-2-yl)-2-phenylethenyl]benzamide |
| MolecularFormula | C22H17N3O |
| Smiles | O=C(c1ccccc1)N/C(/c1nc(cccc2)c2[nH]1)=C/c1ccccc1 |
| InChI | InChI=1S/C22H17N3O/c26-22(17-11-5-2-6-12-17)25-20(15-16-9-3-1-4-10-16)21-23-18-13-7-8-14-19(18)24-21/h1-15H,(H,23,24)(H,25,26) |
| InChIK | JTRYWBLMSLZKNJ-UHFFFAOYSA-N |
| TotalMolweight | 339.397 |
| Molweight | 339.397 |
| MonoisotopicMass | 339.137162 |
| CLogP | 4.1048 |
| CLogS | -4.224 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 269.63 |
| Relative PSA | 0.18344 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | 2.2258 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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