3-(benzimidazol-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]propanamide
Formula:C17H15N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(benzimidazol-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(benzimidazol-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]propanamide |
| MolecularFormula | C17H15N4OBr |
| Smiles | O=C(CCn1c(cccc2)c2nc1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C17H15BrN4O/c18-14-7-5-13(6-8-14)11-20-21-17(23)9-10-22-12-19-15-3-1-2-4-16(15)22/h1-8,11-12H,9-10H2,(H,21,23) |
| InChIK | MIIZSBQJODUPFN-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 | 0.69565 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-(benzimidazol-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]propanamide | 2 - 3-(benzimidazol-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off