| MolName | 1-[1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(4-fluorophenyl)imidazol-2-yl]-3-phenylurea |
| MolecularFormula | C23H16N5OCl2F |
| Smiles | O=C(Nc1nc(-c(cc2)ccc2F)cn1/N=C\c(ccc(Cl)c1)c1Cl)Nc1ccccc1 |
| InChI | InChI=1S/C23H16Cl2FN5O/c24-17-9-6-16(20(25)12-17)13-27-31-14-21(15-7-10-18(26)11-8-15)29-22(31)30-23(32)28-19-4-2-1-3-5-19/h1-14H,(H2,28,29,30,32) |
| InChIK | LNMNNMGTFGXQNI-UHFFFAOYSA-N |
| TotalMolweight | 468.318 |
| Molweight | 468.318 |
| MonoisotopicMass | 467.071592 |
| CLogP | 6.1925 |
| CLogS | -10.038 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 343.12 |
| Relative PSA | 0.19034 |
| PolarSurfaceArea | 71.31 |
| Druglikeness | 3.3659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(4-fluorophenyl)imidazol-2-yl]-3-phenylurea | 2 - 1-[1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(4-fluorophenyl)imidazol-2-yl]-3-phenylurea