1-[(Z)-benzylideneamino]-4-(4-chlorophenyl)imidazol-2-amine
Formula:C16H13N4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-benzylideneamino]-4-(4-chlorophenyl)imidazol-2-amine is a drug-like molecule.
| MolName | 1-[(Z)-benzylideneamino]-4-(4-chlorophenyl)imidazol-2-amine |
| MolecularFormula | C16H13N4Cl |
| Smiles | Nc1nc(-c(cc2)ccc2Cl)cn1/N=C\c1ccccc1 |
| InChI | InChI=1S/C16H13ClN4/c17-14-8-6-13(7-9-14)15-11-21(16(18)20-15)19-10-12-4-2-1-3-5-12/h1-11H,(H2,18,20) |
| InChIK | QPSZQDKINQNBDK-UHFFFAOYSA-N |
| TotalMolweight | 296.76 |
| Molweight | 296.76 |
| MonoisotopicMass | 296.082873 |
| CLogP | 3.667 |
| CLogS | -7.036 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.44 |
| Relative PSA | 0.19447 |
| PolarSurfaceArea | 56.2 |
| Druglikeness | 3.8599 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(Z)-benzylideneamino]-4-(4-chlorophenyl)imidazol-2-amine | 2 - 1-[(Z)-benzylideneamino]-4-(4-chlorophenyl)imidazol-2-amine
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