(Z)-3-(1H-benzimidazol-2-yl)-2-(4-piperidin-1-ylphenyl)prop-2-enenitrile
Formula:C21H20N4
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
(Z)-3-(1H-benzimidazol-2-yl)-2-(4-piperidin-1-ylphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(1H-benzimidazol-2-yl)-2-(4-piperidin-1-ylphenyl)prop-2-enenitrile |
| MolecularFormula | C21H20N4 |
| Smiles | N#C/C(/c(cc1)ccc1N1CCCCC1)=C\c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C21H20N4/c22-15-17(14-21-23-19-6-2-3-7-20(19)24-21)16-8-10-18(11-9-16)25-12-4-1-5-13-25/h2-3,6-11,14H,1,4-5,12-13H2,(H,23,24) |
| InChIK | KGRCURHJPUJDHG-UHFFFAOYSA-N |
| TotalMolweight | 328.418 |
| Molweight | 328.418 |
| MonoisotopicMass | 328.168796 |
| CLogP | 3.6547 |
| CLogS | -4.116 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.97 |
| Relative PSA | 0.157 |
| PolarSurfaceArea | 55.71 |
| Druglikeness | -2.9591 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| 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 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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