Basic information
- Standard SMILES
Cc1nc(C#Cc2ccnc(Cl)c2)cn1Cc1ccc(Cl)nc1- InChIKey
WWOPXUZALLDLDE-UHFFFAOYSA-N- Molecular formula
- C17H12Cl2N4
- Average molar mass
- 343.2 g/mol
Names & identifiers
- Preferred name
- 4-[1-(2-Chloro-pyridin-5-ylmethyl)-2-methyl-1H-imidazol-4-ylethynyl]-2-chloro-pyridine
- IUPAC
- 2-chloro-4-[2-[1-[(6-chloro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethynyl]pyridine
Names & synonyms
SCHEMBL2009210WWOPXUZALLDLDE-UHFFFAOYSA-N4-[1-(2-Chloro-pyridin-5-ylmethyl)-2-methyl-1H-imidazol-4-ylethynyl]-2-chloro-pyridine
Database identifiers
- PubChem CID
- 11210072
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Related reactions
3 records
Compound notes
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