| Canonical Smiles | CC1=NC=C(N1C)C#C |
|---|---|
| IUPAC Name | 5-ethynyl-1,2-dimethylimidazole |
| InChIKey | FLBRASZYLXQMBC-UHFFFAOYSA-N |
| INCHI | 1S/C7H8N2/c1-4-7-5-8-6(2)9(7)3/h1,5H,2-3H3 |
| Molecular Weight | 120.15 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles - Trisubstituted imidazoles |
| Direct Parent | 1,2,5-trisubstituted imidazoles |
| Alternative Parents | N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Acetylides Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,2,5-trisubstituted-imidazole - N-substituted imidazole - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,2,5-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 5. |
| External Descriptors | Not available |
| Molecular Weight | 120.150 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 120.069 Da |
| Monoisotopic Mass | 120.069 Da |
| Topological Polar Surface Area | 17.800 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 144.000 |
| 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 |
