Basic information
- Standard SMILES
Cc1nc(C#Cc2cccc(Cl)c2)cn1-c1ccncn1- InChIKey
DBXOUASPVJXJSH-UHFFFAOYSA-N- Molecular formula
- C16H11ClN4
- Average molar mass
- 294.74 g/mol
Names & identifiers
- Preferred name
- 4-[4-(3-Chloro-phenylethynyl)-2-methyl-imidazol-1-yl]-pyrimidine
- IUPAC
- 4-[4-[2-(3-chlorophenyl)ethynyl]-2-methylimidazol-1-yl]pyrimidine
Names & synonyms
SCHEMBL1023466DBXOUASPVJXJSH-UHFFFAOYSA-N4-[4-(3-Chloro-phenylethynyl)-2-methyl-imidazol-1-yl]-pyrimidine
Database identifiers
- PubChem CID
- 66879730
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Related reactions
2 records
Compound notes
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