N-[(Z)-furan-2-ylmethylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
Formula:C19H15N5O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide |
| MolecularFormula | C19H15N5O2 |
| Smiles | O=C(Cn1c(-c2ncccc2)nc2c1cccc2)N/N=C\c1ccco1 |
| InChI | InChI=1S/C19H15N5O2/c25-18(23-21-12-14-6-5-11-26-14)13-24-17-9-2-1-7-15(17)22-19(24)16-8-3-4-10-20-16/h1-12H,13H2,(H,23,25) |
| InChIK | QQJICZWYDAWWQB-UHFFFAOYSA-N |
| TotalMolweight | 345.361 |
| Molweight | 345.361 |
| MonoisotopicMass | 345.122575 |
| CLogP | 2.3504 |
| CLogS | -3.786 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 271.52 |
| Relative PSA | 0.2907 |
| PolarSurfaceArea | 85.31 |
| Druglikeness | 5.833 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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