N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]formamide
Formula:C20H21N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]formamide is a drug-like molecule.
| MolName | N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]formamide |
| MolecularFormula | C20H21N3O |
| Smiles | O=CNCCCc1nc(cccc2)c2n1C/C=C/c1ccccc1 |
| InChI | InChI=1S/C20H21N3O/c24-16-21-14-6-13-20-22-18-11-4-5-12-19(18)23(20)15-7-10-17-8-2-1-3-9-17/h1-5,7-12,16H,6,13-15H2,(H,21,24) |
| InChIK | GPWGQBLURVEFIJ-UHFFFAOYSA-N |
| TotalMolweight | 319.407 |
| Molweight | 319.407 |
| MonoisotopicMass | 319.168462 |
| CLogP | 3.2373 |
| CLogS | -3.028 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.12 |
| Relative PSA | 0.15791 |
| PolarSurfaceArea | 46.92 |
| Druglikeness | 1.8925 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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