2-[(4E)-5-oxo-2-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-1-yl]acetamide
Formula:C25H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4E)-5-oxo-2-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[(4E)-5-oxo-2-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-1-yl]acetamide |
| MolecularFormula | C25H21N3O3 |
| Smiles | NC(CN(C1=O)C(c2ccccc2)=N/C1=C/c(cc1)ccc1OCc1ccccc1)=O |
| InChI | InChI=1S/C25H21N3O3/c26-23(29)16-28-24(20-9-5-2-6-10-20)27-22(25(28)30)15-18-11-13-21(14-12-18)31-17-19-7-3-1-4-8-19/h1-15H,16-17H2,(H2,26,29) |
| InChIK | ZVMXSOMJYGEOCB-UHFFFAOYSA-N |
| TotalMolweight | 411.46 |
| Molweight | 411.46 |
| MonoisotopicMass | 411.158292 |
| CLogP | 2.7815 |
| CLogS | -4.613 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 318.8 |
| Relative PSA | 0.20831 |
| PolarSurfaceArea | 84.99 |
| Druglikeness | 5.1553 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(4E)-5-oxo-2-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-1-yl]acetamide | 2 - 2-[(4E)-5-oxo-2-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-1-yl]acetamide
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