2-(benzimidazol-1-yl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
Formula:C14H12N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(benzimidazol-1-yl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzimidazol-1-yl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide |
| MolecularFormula | C14H12N4OS |
| Smiles | O=C(Cn1c(cccc2)c2nc1)N/N=C\c1cscc1 |
| InChI | InChI=1S/C14H12N4OS/c19-14(17-16-7-11-5-6-20-9-11)8-18-10-15-12-3-1-2-4-13(12)18/h1-7,9-10H,8H2,(H,17,19) |
| InChIK | OJLJQJCDAKRCEP-UHFFFAOYSA-N |
| TotalMolweight | 284.342 |
| Molweight | 284.342 |
| MonoisotopicMass | 284.073181 |
| CLogP | 2.213 |
| CLogS | -2.962 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 219.25 |
| Relative PSA | 0.33847 |
| PolarSurfaceArea | 87.52 |
| Druglikeness | 6.78 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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