Basic information
- Standard SMILES
Cc1nc(C#Cc2cccc(Cl)c2)cn1-c1ccoc1- InChIKey
YJWZLJBWAASRMX-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O
- Average molar mass
- 282.72 g/mol
Names & identifiers
- Preferred name
- 4-(3-Chloro-phenylethynyl)-1-furan-3-yl-2-methyl-1H-imidazole
- IUPAC
- 4-[2-(3-chlorophenyl)ethynyl]-1-(furan-3-yl)-2-methylimidazole
Names & synonyms
SCHEMBL1023081YJWZLJBWAASRMX-UHFFFAOYSA-N4-(3-Chloro-phenylethynyl)-1-furan-3-yl-2-methyl-1H-imidazole
Database identifiers
- PubChem CID
- 66879599
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 31 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 402
Related reactions
2 records
Compound notes
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