4-(1H-benzimidazol-2-ylmethoxy)-N-[(Z)-furan-2-ylmethylideneamino]benzamide
Formula:C20H16N4O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-(1H-benzimidazol-2-ylmethoxy)-N-[(Z)-furan-2-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(1H-benzimidazol-2-ylmethoxy)-N-[(Z)-furan-2-ylmethylideneamino]benzamide |
| MolecularFormula | C20H16N4O3 |
| Smiles | O=C(c(cc1)ccc1OCc1nc(cccc2)c2[nH]1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C20H16N4O3/c25-20(24-21-12-16-4-3-11-26-16)14-7-9-15(10-8-14)27-13-19-22-17-5-1-2-6-18(17)23-19/h1-12H,13H2,(H,22,23)(H,24,25) |
| InChIK | IIARSUCTPRZFNC-UHFFFAOYSA-N |
| TotalMolweight | 360.372 |
| Molweight | 360.372 |
| MonoisotopicMass | 360.122241 |
| CLogP | 3.2275 |
| CLogS | -4.239 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 283.13 |
| Relative PSA | 0.3005 |
| PolarSurfaceArea | 92.51 |
| Druglikeness | 4.2465 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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