N-[(Z)-[3-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-1H-benzimidazol-2-amine
Formula:C22H18N8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C22H18N8 |
| Smiles | C(c1cccc(/C=N\Nc2nc(cccc3)c3[nH]2)c1)=N\Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C22H18N8/c1-2-9-18-17(8-1)25-21(26-18)29-23-13-15-6-5-7-16(12-15)14-24-30-22-27-19-10-3-4-11-20(19)28-22/h1-14H,(H2,25,26,29)(H2,27,28,30) |
| InChIK | SPTVYRWPCFXVOU-UHFFFAOYSA-N |
| TotalMolweight | 394.441 |
| Molweight | 394.441 |
| MonoisotopicMass | 394.165442 |
| CLogP | 7.9604 |
| CLogS | -5.646 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 311.08 |
| Relative PSA | 0.30815 |
| PolarSurfaceArea | 106.14 |
| Druglikeness | 3.2659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[3-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-1H-benzimidazol-2-amine | 2 - N-[(Z)-[3-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-1H-benzimidazol-2-amine
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