(5E)-3-[(2-fluorophenyl)methyl]-5-[(1-phenylpyrrol-2-yl)methylidene]imidazolidine-2,4-dione
Formula:C21H16N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(2-fluorophenyl)methyl]-5-[(1-phenylpyrrol-2-yl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(2-fluorophenyl)methyl]-5-[(1-phenylpyrrol-2-yl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C21H16N3O2F |
| Smiles | O=C(/C(/N1)=C\c2cccn2-c2ccccc2)N(Cc(cccc2)c2F)C1=O |
| InChI | InChI=1S/C21H16FN3O2/c22-18-11-5-4-7-15(18)14-25-20(26)19(23-21(25)27)13-17-10-6-12-24(17)16-8-2-1-3-9-16/h1-13H,14H2,(H,23,27) |
| InChIK | ZGYPDFLGNWNNMS-UHFFFAOYSA-N |
| TotalMolweight | 361.375 |
| Molweight | 361.375 |
| MonoisotopicMass | 361.122655 |
| CLogP | 2.879 |
| CLogS | -6.348 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 270.56 |
| Relative PSA | 0.17726 |
| PolarSurfaceArea | 54.34 |
| Druglikeness | 3.575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-[(2-fluorophenyl)methyl]-5-[(1-phenylpyrrol-2-yl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(2-fluorophenyl)methyl]-5-[(1-phenylpyrrol-2-yl)methylidene]imidazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off