N-[(Z)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
Formula:C21H16N4OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C21H16N4OBr2 |
| Smiles | Brc(cc1/C=N\Nc2nc(cccc3)c3[nH]2)cc(Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C21H16Br2N4O/c22-16-10-15(12-24-27-21-25-18-8-4-5-9-19(18)26-21)20(17(23)11-16)28-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,25,26,27) |
| InChIK | AWKJKOKYPYTNAT-UHFFFAOYSA-N |
| TotalMolweight | 500.193 |
| Molweight | 500.193 |
| MonoisotopicMass | 497.969083 |
| CLogP | 7.6085 |
| CLogS | -6.64 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 312.95 |
| Relative PSA | 0.18511 |
| PolarSurfaceArea | 62.3 |
| Druglikeness | 0.81363 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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