N-[(E)-1-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)ethenyl]benzamide
Formula:C22H16N3OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-1-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)ethenyl]benzamide is a drug-like molecule.
| MolName | N-[(E)-1-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)ethenyl]benzamide |
| MolecularFormula | C22H16N3OCl |
| Smiles | O=C(c1ccccc1)N/C(/c1nc(cccc2)c2[nH]1)=C/c(cccc1)c1Cl |
| InChI | InChI=1S/C22H16ClN3O/c23-17-11-5-4-10-16(17)14-20(26-22(27)15-8-2-1-3-9-15)21-24-18-12-6-7-13-19(18)25-21/h1-14H,(H,24,25)(H,26,27) |
| InChIK | VSOLNQCYYIFZJO-UHFFFAOYSA-N |
| TotalMolweight | 373.842 |
| Molweight | 373.842 |
| MonoisotopicMass | 373.098189 |
| CLogP | 4.7108 |
| CLogS | -4.96 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 285.05 |
| Relative PSA | 0.17351 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | 2.2864 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-1-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)ethenyl]benzamide | 2 - N-[(E)-1-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)ethenyl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off