(E)-5-(benzimidazol-1-yl)-1-phenylpent-1-en-3-one
Formula:C18H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-5-(benzimidazol-1-yl)-1-phenylpent-1-en-3-one is a drug-like molecule.
| MolName | (E)-5-(benzimidazol-1-yl)-1-phenylpent-1-en-3-one |
| MolecularFormula | C18H16N2O |
| Smiles | O=C(CCn1c(cccc2)c2nc1)/C=C/c1ccccc1 |
| InChI | InChI=1S/C18H16N2O/c21-16(11-10-15-6-2-1-3-7-15)12-13-20-14-19-17-8-4-5-9-18(17)20/h1-11,14H,12-13H2 |
| InChIK | MWPFQWAFINWCGZ-UHFFFAOYSA-N |
| TotalMolweight | 276.338 |
| Molweight | 276.338 |
| MonoisotopicMass | 276.126263 |
| CLogP | 3.2768 |
| CLogS | -3.227 |
| H Acceptors | 3 |
| TotalSurfaceArea | 227.35 |
| Relative PSA | 0.13583 |
| PolarSurfaceArea | 34.89 |
| Druglikeness | 3.5042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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