2-[[3-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzonitrile
Formula:C27H19N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[3-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzonitrile is a drug-like molecule.
| MolName | 2-[[3-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzonitrile |
| MolecularFormula | C27H19N4O2F |
| Smiles | N#Cc1c(Cn2c(cccc3)c3c(/C=C(\C(N3Cc(cc4)ccc4F)=O)/NC3=O)c2)cccc1 |
| InChI | InChI=1S/C27H19FN4O2/c28-22-11-9-18(10-12-22)15-32-26(33)24(30-27(32)34)13-21-17-31(25-8-4-3-7-23(21)25)16-20-6-2-1-5-19(20)14-29/h1-13,17H,15-16H2,(H,30,34) |
| InChIK | JPKYDGNCAKBMSS-UHFFFAOYSA-N |
| TotalMolweight | 450.472 |
| Molweight | 450.472 |
| MonoisotopicMass | 450.149204 |
| CLogP | 4.0054 |
| CLogS | -5.762 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 340.63 |
| Relative PSA | 0.18061 |
| PolarSurfaceArea | 78.13 |
| Druglikeness | -0.6 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[[3-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzonitrile | 2 - 2-[[3-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off