(E)-1-[4-(benzimidazol-1-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
Formula:C21H21N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-(benzimidazol-1-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-(benzimidazol-1-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one |
| MolecularFormula | C21H21N3O |
| Smiles | O=C(/C=C/c1ccccc1)N(CC1)CCC1n1c(cccc2)c2nc1 |
| InChI | InChI=1S/C21H21N3O/c25-21(11-10-17-6-2-1-3-7-17)23-14-12-18(13-15-23)24-16-22-19-8-4-5-9-20(19)24/h1-11,16,18H,12-15H2 |
| InChIK | XZQJOQVVEKRXPP-UHFFFAOYSA-N |
| TotalMolweight | 331.418 |
| Molweight | 331.418 |
| MonoisotopicMass | 331.168462 |
| CLogP | 4.0109 |
| CLogS | -2.741 |
| H Acceptors | 4 |
| TotalSurfaceArea | 264.17 |
| Relative PSA | 0.13033 |
| PolarSurfaceArea | 38.13 |
| Druglikeness | 4.0966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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