(6Z)-3-amino-1-benzyl-6-benzylideneimidazo[1,2-a]imidazol-5-one
Formula:C19H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-3-amino-1-benzyl-6-benzylideneimidazo[1,2-a]imidazol-5-one is a drug-like molecule.
| MolName | (6Z)-3-amino-1-benzyl-6-benzylideneimidazo[1,2-a]imidazol-5-one |
| MolecularFormula | C19H16N4O |
| Smiles | NC(N1C2=O)=CN(Cc3ccccc3)C1=N/C2=C\c1ccccc1 |
| InChI | InChI=1S/C19H16N4O/c20-17-13-22(12-15-9-5-2-6-10-15)19-21-16(18(24)23(17)19)11-14-7-3-1-4-8-14/h1-11,13H,12,20H2 |
| InChIK | QXAUSNHBKJVORY-UHFFFAOYSA-N |
| TotalMolweight | 316.363 |
| Molweight | 316.363 |
| MonoisotopicMass | 316.132411 |
| CLogP | 2.3056 |
| CLogS | -5.28 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 239.04 |
| Relative PSA | 0.19629 |
| PolarSurfaceArea | 61.93 |
| Druglikeness | 4.6784 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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