N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-benzimidazol-2-amine
Formula:C16H12N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-benzimidazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C16H12N6 |
| Smiles | C(c1nc2ccccc2nc1)=N\Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C16H12N6/c1-2-6-13-12(5-1)17-9-11(19-13)10-18-22-16-20-14-7-3-4-8-15(14)21-16/h1-10H,(H2,20,21,22) |
| InChIK | QMSYSHSYCIPYPJ-UHFFFAOYSA-N |
| TotalMolweight | 288.313 |
| Molweight | 288.313 |
| MonoisotopicMass | 288.112344 |
| CLogP | 4.3016 |
| CLogS | -3.461 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 224.29 |
| Relative PSA | 0.31152 |
| PolarSurfaceArea | 78.85 |
| Druglikeness | 3.2659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-benzimidazol-2-amine | 2 - N-[(Z)-quinoxalin-2-ylmethylideneamino]-1H-benzimidazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off