| Canonical Smiles | CC1(CNC(=O)N1CC2=CC=C(C=C2)Cl)C |
|---|---|
| IUPAC Name | 1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one |
| InChIKey | XUDCGBBALDNPIO-UHFFFAOYSA-N |
| INCHI | 1S/C12H15ClN2O/c1-12(2)8-14-11(16)15(12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,16) |
| Isomeric SMILES | CC1(CNC(=O)N1CC2=CC=C(C=C2)Cl)C |
| PubChem CID | 66545139 |
| Molecular Weight | 238.72 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Imidazolidinones Aryl chlorides Ureas Tertiary amines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Chlorobenzene - Aryl chloride - Aryl halide - Imidazolidinone - Imidazolidine - Tertiary amine - Urea - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety. |
| External Descriptors | Not available |
| Molecular Weight | 238.710 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 238.087 Da |
| Monoisotopic Mass | 238.087 Da |
| Topological Polar Surface Area | 32.299 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 272.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
