2-(benzimidazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
Formula:C15H13N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(benzimidazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzimidazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C15H13N5O |
| Smiles | O=C(Cn1c(cccc2)c2nc1)N/N=C/c1cnccc1 |
| InChI | InChI=1S/C15H13N5O/c21-15(19-18-9-12-4-3-7-16-8-12)10-20-11-17-13-5-1-2-6-14(13)20/h1-9,11H,10H2,(H,19,21) |
| InChIK | AYXYPDPDBKMXKK-UHFFFAOYSA-N |
| TotalMolweight | 279.302 |
| Molweight | 279.302 |
| MonoisotopicMass | 279.11201 |
| CLogP | 1.4277 |
| CLogS | -2.267 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 222.07 |
| Relative PSA | 0.29189 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 6.3893 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(benzimidazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-(benzimidazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off