| MolName | N-[(E)-3-(1H-benzimidazol-2-yl)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C23H16N3O2F |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c(cccc1)c1F)c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C23H16FN3O2/c24-17-11-5-4-10-16(17)14-20(27-23(29)15-8-2-1-3-9-15)21(28)22-25-18-12-6-7-13-19(18)26-22/h1-14H,(H,25,26)(H,27,29) |
| InChIK | GLSYACGKDKJLRF-UHFFFAOYSA-N |
| TotalMolweight | 385.397 |
| Molweight | 385.397 |
| MonoisotopicMass | 385.122655 |
| CLogP | 4.1812 |
| CLogS | -5.024 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 293.73 |
| Relative PSA | 0.21278 |
| PolarSurfaceArea | 74.85 |
| Druglikeness | 2.1042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-3-(1H-benzimidazol-2-yl)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-(1H-benzimidazol-2-yl)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide