| Canonical Smiles | C1=CC(=CC=C1C2=NC=C(N2)CCl)Cl |
|---|---|
| IUPAC Name | 5-(chloromethyl)-2-(4-chlorophenyl)-1H-imidazole |
| InChIKey | ZTZALKNSSDQIHI-UHFFFAOYSA-N |
| INCHI | 1S/C10H8Cl2N2/c11-5-9-6-13-10(14-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2,(H,13,14) |
| Isomeric SMILES | C1=CC(=CC=C1C2=NC=C(N2)CCl)Cl |
| PubChem CID | 57361980 |
| Molecular Weight | 227.08 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Chlorobenzenes Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylimidazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Alkyl chloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 227.090 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 226.006 Da |
| Monoisotopic Mass | 226.006 Da |
| Topological Polar Surface Area | 28.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 181.000 |
| 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 |
