3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
Formula:C23H20N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide |
| MolecularFormula | C23H20N4O2 |
| Smiles | O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)nc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C23H20N4O2/c28-21(26-25-16-20-12-7-15-29-20)13-14-27-17-24-22(18-8-3-1-4-9-18)23(27)19-10-5-2-6-11-19/h1-12,15-17H,13-14H2,(H,26,28) |
| InChIK | JFBWPOHFKZTWOX-UHFFFAOYSA-N |
| TotalMolweight | 384.438 |
| Molweight | 384.438 |
| MonoisotopicMass | 384.158626 |
| CLogP | 4.1327 |
| CLogS | -5.174 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 311.68 |
| Relative PSA | 0.21804 |
| PolarSurfaceArea | 72.42 |
| Druglikeness | 6.3514 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide | 2 - 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off