5-(4-bromophenyl)-1-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]imidazol-2-amine
Formula:C23H19N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(4-bromophenyl)-1-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]imidazol-2-amine is not a drug-like molecule.
| MolName | 5-(4-bromophenyl)-1-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]imidazol-2-amine |
| MolecularFormula | C23H19N4OBr |
| Smiles | Nc1ncc(-c(cc2)ccc2Br)n1/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C23H19BrN4O/c24-20-10-8-19(9-11-20)22-15-26-23(25)28(22)27-14-17-6-12-21(13-7-17)29-16-18-4-2-1-3-5-18/h1-15H,16H2,(H2,25,26) |
| InChIK | PWOZSCMITWWHQT-UHFFFAOYSA-N |
| TotalMolweight | 447.335 |
| Molweight | 447.335 |
| MonoisotopicMass | 446.074222 |
| CLogP | 5.1343 |
| CLogS | -8.475 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 316.17 |
| Relative PSA | 0.17276 |
| PolarSurfaceArea | 65.43 |
| Druglikeness | 2.03 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 5-(4-bromophenyl)-1-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]imidazol-2-amine | 2 - 5-(4-bromophenyl)-1-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]imidazol-2-amine
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