(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
Formula:C21H20N3O2Cl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C21H20N3O2Cl |
| Smiles | O=C(/C(/N1)=C/c(cc2)ccc2N2CCCC2)N(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C21H20ClN3O2/c22-17-7-3-16(4-8-17)14-25-20(26)19(23-21(25)27)13-15-5-9-18(10-6-15)24-11-1-2-12-24/h3-10,13H,1-2,11-12,14H2,(H,23,27) |
| InChIK | NNFVNTKHCLQXMJ-UHFFFAOYSA-N |
| TotalMolweight | 381.862 |
| Molweight | 381.862 |
| MonoisotopicMass | 381.124404 |
| CLogP | 3.6363 |
| CLogS | -5.155 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.51 |
| Relative PSA | 0.15801 |
| PolarSurfaceArea | 52.65 |
| Druglikeness | 4.9632 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
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