N-[(Z)-1-(1H-benzimidazol-2-yl)-2-pyridin-3-ylethenyl]-3-bromobenzamide
Formula:C21H15N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-pyridin-3-ylethenyl]-3-bromobenzamide is a drug-like molecule.
| MolName | N-[(Z)-1-(1H-benzimidazol-2-yl)-2-pyridin-3-ylethenyl]-3-bromobenzamide |
| MolecularFormula | C21H15N4OBr |
| Smiles | O=C(c1cccc(Br)c1)N/C(/c1nc(cccc2)c2[nH]1)=C\c1cnccc1 |
| InChI | InChI=1S/C21H15BrN4O/c22-16-7-3-6-15(12-16)21(27)26-19(11-14-5-4-10-23-13-14)20-24-17-8-1-2-9-18(17)25-20/h1-13H,(H,24,25)(H,26,27) |
| InChIK | GEKWYGVEXDUQMM-UHFFFAOYSA-N |
| TotalMolweight | 419.281 |
| Molweight | 419.281 |
| MonoisotopicMass | 418.042922 |
| CLogP | 3.8291 |
| CLogS | -4.263 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 287.02 |
| Relative PSA | 0.21054 |
| PolarSurfaceArea | 70.67 |
| Druglikeness | 0.43577 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1-(1H-benzimidazol-2-yl)-2-pyridin-3-ylethenyl]-3-bromobenzamide | 2 - N-[(Z)-1-(1H-benzimidazol-2-yl)-2-pyridin-3-ylethenyl]-3-bromobenzamide
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