N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine
Formula:C18H13N4OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C18H13N4OBr |
| Smiles | Brc(cc1)ccc1-c1ccc(/C=N\Nc2nc(cccc3)c3[nH]2)o1 |
| InChI | InChI=1S/C18H13BrN4O/c19-13-7-5-12(6-8-13)17-10-9-14(24-17)11-20-23-18-21-15-3-1-2-4-16(15)22-18/h1-11H,(H2,21,22,23) |
| InChIK | HIWHPSBBUHMBJI-UHFFFAOYSA-N |
| TotalMolweight | 381.232 |
| Molweight | 381.232 |
| MonoisotopicMass | 380.027272 |
| CLogP | 6.4741 |
| CLogS | -5.925 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 260.25 |
| Relative PSA | 0.23839 |
| PolarSurfaceArea | 66.21 |
| Druglikeness | 3.3292 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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