N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]formamide
Formula:C18H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]formamide is a drug-like molecule.
| MolName | N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]formamide |
| MolecularFormula | C18H17N3O |
| Smiles | O=CNCc1nc(cccc2)c2n1C/C=C/c1ccccc1 |
| InChI | InChI=1S/C18H17N3O/c22-14-19-13-18-20-16-10-4-5-11-17(16)21(18)12-6-9-15-7-2-1-3-8-15/h1-11,14H,12-13H2,(H,19,22) |
| InChIK | DZHNTULEQQCCSK-UHFFFAOYSA-N |
| TotalMolweight | 291.353 |
| Molweight | 291.353 |
| MonoisotopicMass | 291.137162 |
| CLogP | 2.3528 |
| CLogS | -2.646 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.6 |
| Relative PSA | 0.17598 |
| PolarSurfaceArea | 46.92 |
| Druglikeness | 2.3324 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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