2-(2,3-dimethylanilino)-1-phenyl-4H-imidazol-5-one
Formula:C17H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2,3-dimethylanilino)-1-phenyl-4H-imidazol-5-one is a drug-like molecule.
| MolName | 2-(2,3-dimethylanilino)-1-phenyl-4H-imidazol-5-one |
| MolecularFormula | C17H17N3O |
| Smiles | Cc1cccc(NC(N2c3ccccc3)=NCC2=O)c1C |
| InChI | InChI=1S/C17H17N3O/c1-12-7-6-10-15(13(12)2)19-17-18-11-16(21)20(17)14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,18,19) |
| InChIK | AZPNTKRWRSNTKF-UHFFFAOYSA-N |
| TotalMolweight | 279.342 |
| Molweight | 279.342 |
| MonoisotopicMass | 279.137162 |
| CLogP | 2.889 |
| CLogS | -4.492 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 220.28 |
| Relative PSA | 0.17959 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 3.6945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(2,3-dimethylanilino)-1-phenyl-4H-imidazol-5-one | 2 - 2-(2,3-dimethylanilino)-1-phenyl-4H-imidazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off