(Z)-1-(4-nitrophenyl)-N-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)methanimine
Formula:C22H15N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(4-nitrophenyl)-N-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-(4-nitrophenyl)-N-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)methanimine |
| MolecularFormula | C22H15N5O2 |
| Smiles | [O-][N+](c1ccc(/C=N\n2c3nc(-c4ccccc4)cn3c3c2cccc3)cc1)=O |
| InChI | InChI=1S/C22H15N5O2/c28-27(29)18-12-10-16(11-13-18)14-23-26-21-9-5-4-8-20(21)25-15-19(24-22(25)26)17-6-2-1-3-7-17/h1-15H |
| InChIK | UOLUHNMGJRMFPI-UHFFFAOYSA-N |
| TotalMolweight | 381.394 |
| Molweight | 381.394 |
| MonoisotopicMass | 381.122575 |
| CLogP | 3.4803 |
| CLogS | -7.402 |
| H Acceptors | 7 |
| TotalSurfaceArea | 289.02 |
| Relative PSA | 0.23431 |
| PolarSurfaceArea | 80.41 |
| Druglikeness | -0.58206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(4-nitrophenyl)-N-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)methanimine | 2 - (Z)-1-(4-nitrophenyl)-N-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off