N-[(Z)-(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine
Formula:C22H18N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C22H18N6 |
| Smiles | C(c1ccccc1)n1c(cccc2)c2nc1/C=N\Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C22H18N6/c1-2-8-16(9-3-1)15-28-20-13-7-6-12-19(20)24-21(28)14-23-27-22-25-17-10-4-5-11-18(17)26-22/h1-14H,15H2,(H2,25,26,27) |
| InChIK | KOGYFMLEUUPBTB-UHFFFAOYSA-N |
| TotalMolweight | 366.427 |
| Molweight | 366.427 |
| MonoisotopicMass | 366.159294 |
| CLogP | 5.7894 |
| CLogS | -3.579 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 288.25 |
| Relative PSA | 0.22817 |
| PolarSurfaceArea | 70.89 |
| Druglikeness | 5.0797 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 2 |
| StereoCon |
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