N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)ethenyl]benzamide
Formula:C22H16N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)ethenyl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)ethenyl]benzamide |
| MolecularFormula | C22H16N3OBr |
| Smiles | O=C(c1ccccc1)N/C(/c1nc(cccc2)c2[nH]1)=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C22H16BrN3O/c23-17-10-6-7-15(13-17)14-20(26-22(27)16-8-2-1-3-9-16)21-24-18-11-4-5-12-19(18)25-21/h1-14H,(H,24,25)(H,26,27) |
| InChIK | LXPFNVNPIYWCJT-UHFFFAOYSA-N |
| TotalMolweight | 418.293 |
| Molweight | 418.293 |
| MonoisotopicMass | 417.047673 |
| CLogP | 4.83 |
| CLogS | -5.058 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 288.26 |
| Relative PSA | 0.17158 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | 0.43577 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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