(E)-1-(1-benzylbenzimidazol-2-yl)-3-pyridin-3-ylprop-2-en-1-one
Formula:C22H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1-benzylbenzimidazol-2-yl)-3-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(1-benzylbenzimidazol-2-yl)-3-pyridin-3-ylprop-2-en-1-one |
| MolecularFormula | C22H17N3O |
| Smiles | O=C(/C=C/c1cnccc1)c1nc(cccc2)c2n1Cc1ccccc1 |
| InChI | InChI=1S/C22H17N3O/c26-21(13-12-17-9-6-14-23-15-17)22-24-19-10-4-5-11-20(19)25(22)16-18-7-2-1-3-8-18/h1-15H,16H2 |
| InChIK | XTDXSTQEYZXOKL-UHFFFAOYSA-N |
| TotalMolweight | 339.397 |
| Molweight | 339.397 |
| MonoisotopicMass | 339.137162 |
| CLogP | 3.2823 |
| CLogS | -2.993 |
| H Acceptors | 4 |
| TotalSurfaceArea | 272.11 |
| Relative PSA | 0.1538 |
| PolarSurfaceArea | 47.78 |
| Druglikeness | 3.5631 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(1-benzylbenzimidazol-2-yl)-3-pyridin-3-ylprop-2-en-1-one | 2 - (E)-1-(1-benzylbenzimidazol-2-yl)-3-pyridin-3-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off