2-(benzimidazol-1-yl)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
Formula:C18H15N4OBr
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
2-(benzimidazol-1-yl)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(benzimidazol-1-yl)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C18H15N4OBr |
| Smiles | O=C(Cn1c(cccc2)c2nc1)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C18H15BrN4O/c19-15(10-14-6-2-1-3-7-14)11-21-22-18(24)12-23-13-20-16-8-4-5-9-17(16)23/h1-11,13H,12H2,(H,22,24) |
| InChIK | POVNBUJGQZVBBA-UHFFFAOYSA-N |
| TotalMolweight | 383.248 |
| Molweight | 383.248 |
| MonoisotopicMass | 382.042922 |
| CLogP | 3.0395 |
| CLogS | -4.187 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 266.65 |
| Relative PSA | 0.20195 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 1.1956 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(benzimidazol-1-yl)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(benzimidazol-1-yl)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
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