| Canonical Smiles | CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)Cl |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione |
| InChIKey | FJMQOXCSOMULOY-UHFFFAOYSA-N |
| INCHI | 1S/C10H9ClN2O2/c1-10(8(14)12-9(15)13-10)6-2-4-7(11)5-3-6/h2-5H,1H3,(H2,12,13,14,15) |
| Molecular Weight | 224.64 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Imidazolidinones - Imidazolidinediones - Hydantoins |
| Direct Parent | Phenylhydantoins |
| Alternative Parents | Phenylimidazolidines Alpha amino acids and derivatives 5-monosubstituted hydantoins N-acyl ureas Chlorobenzenes Aryl chlorides Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-phenylhydantoin - Phenylimidazolidine - Alpha-amino acid or derivatives - 5-monosubstituted hydantoin - Ureide - N-acyl urea - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Dicarboximide - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 224.640 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 224.035 Da |
| Monoisotopic Mass | 224.035 Da |
| Topological Polar Surface Area | 58.200 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 300.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
