(E)-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-thiophen-2-ylprop-2-enamide
Formula:C20H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C20H15N3OS |
| Smiles | O=C(/C=C/c1cccs1)Nc(cc1)ccc1-c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C20H15N3OS/c24-19(12-11-16-4-3-13-25-16)21-15-9-7-14(8-10-15)20-22-17-5-1-2-6-18(17)23-20/h1-13H,(H,21,24)(H,22,23) |
| InChIK | UZOXONCJUWLMIP-UHFFFAOYSA-N |
| TotalMolweight | 345.425 |
| Molweight | 345.425 |
| MonoisotopicMass | 345.093582 |
| CLogP | 4.2455 |
| CLogS | -5.864 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 267.36 |
| Relative PSA | 0.26115 |
| PolarSurfaceArea | 86.02 |
| Druglikeness | 1.8561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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