3-(benzimidazol-1-yl)-N-[(Z)-(3-bromophenyl)methylideneamino]propanamide
Formula:C17H15N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(benzimidazol-1-yl)-N-[(Z)-(3-bromophenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(benzimidazol-1-yl)-N-[(Z)-(3-bromophenyl)methylideneamino]propanamide |
| MolecularFormula | C17H15N4OBr |
| Smiles | O=C(CCn1c(cccc2)c2nc1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C17H15BrN4O/c18-14-5-3-4-13(10-14)11-20-21-17(23)8-9-22-12-19-15-6-1-2-7-16(15)22/h1-7,10-12H,8-9H2,(H,21,23) |
| InChIK | UUFBNOMVOMWPBI-UHFFFAOYSA-N |
| TotalMolweight | 371.237 |
| Molweight | 371.237 |
| MonoisotopicMass | 370.042922 |
| CLogP | 3.6082 |
| CLogS | -4.166 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 255.7 |
| Relative PSA | 0.2106 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 4.6449 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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