2-[(Z)-2-(4-nitrophenyl)-1-phenylethenyl]-1H-benzimidazole
Formula:C21H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(Z)-2-(4-nitrophenyl)-1-phenylethenyl]-1H-benzimidazole is a drug-like molecule.
| MolName | 2-[(Z)-2-(4-nitrophenyl)-1-phenylethenyl]-1H-benzimidazole |
| MolecularFormula | C21H15N3O2 |
| Smiles | [O-][N+](c1ccc(/C=C(\c2nc(cccc3)c3[nH]2)/c2ccccc2)cc1)=O |
| InChI | InChI=1S/C21H15N3O2/c25-24(26)17-12-10-15(11-13-17)14-18(16-6-2-1-3-7-16)21-22-19-8-4-5-9-20(19)23-21/h1-14H,(H,22,23) |
| InChIK | KFWXONJRYPUOOJ-UHFFFAOYSA-N |
| TotalMolweight | 341.369 |
| Molweight | 341.369 |
| MonoisotopicMass | 341.116427 |
| CLogP | 2.8124 |
| CLogS | -4.912 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264.09 |
| Relative PSA | 0.2097 |
| PolarSurfaceArea | 74.5 |
| Druglikeness | -4.5234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-2-(4-nitrophenyl)-1-phenylethenyl]-1H-benzimidazole | 2 - 2-[(Z)-2-(4-nitrophenyl)-1-phenylethenyl]-1H-benzimidazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off