4-(4-chlorophenyl)-1-[(Z)-(2,4-dichlorophenyl)methylideneamino]imidazol-2-amine
Formula:C16H11N4Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4-chlorophenyl)-1-[(Z)-(2,4-dichlorophenyl)methylideneamino]imidazol-2-amine is a drug-like molecule.
| MolName | 4-(4-chlorophenyl)-1-[(Z)-(2,4-dichlorophenyl)methylideneamino]imidazol-2-amine |
| MolecularFormula | C16H11N4Cl3 |
| Smiles | Nc1nc(-c(cc2)ccc2Cl)cn1/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H11Cl3N4/c17-12-4-1-10(2-5-12)15-9-23(16(20)22-15)21-8-11-3-6-13(18)7-14(11)19/h1-9H,(H2,20,22) |
| InChIK | DGEXCEJGYPOIEC-UHFFFAOYSA-N |
| TotalMolweight | 365.65 |
| Molweight | 365.65 |
| MonoisotopicMass | 364.004927 |
| CLogP | 4.879 |
| CLogS | -8.508 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.28 |
| Relative PSA | 0.17143 |
| PolarSurfaceArea | 56.2 |
| Druglikeness | 3.8599 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-(4-chlorophenyl)-1-[(Z)-(2,4-dichlorophenyl)methylideneamino]imidazol-2-amine | 2 - 4-(4-chlorophenyl)-1-[(Z)-(2,4-dichlorophenyl)methylideneamino]imidazol-2-amine
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