2-(benzimidazol-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
Formula:C16H13N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(benzimidazol-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzimidazol-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H13N4OBr |
| Smiles | O=C(Cn1c(cccc2)c2nc1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C16H13BrN4O/c17-13-7-5-12(6-8-13)9-19-20-16(22)10-21-11-18-14-3-1-2-4-15(14)21/h1-9,11H,10H2,(H,20,22) |
| InChIK | IRKJNSLVHBHKTB-UHFFFAOYSA-N |
| TotalMolweight | 357.21 |
| Molweight | 357.21 |
| MonoisotopicMass | 356.027272 |
| CLogP | 3.1538 |
| CLogS | -3.896 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 241.94 |
| Relative PSA | 0.22258 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 4.5993 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| 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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