2-Allyloxy-6-[4-(3-chloro-phenylethynyl)-2-methyl-imidazol-1-yl]-pyrazine

HCID 66865611

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: C=CCOc1cncc(-n2cc(C#Cc3cccc(Cl)c3)nc2C)n1
InChIKey: RJHMRULQEUIPOM-UHFFFAOYSA-N
Molecular formula: C19H15ClN4O
Average molar mass: 350.8 g/mol

Names & identifiers

Preferred name: 2-Allyloxy-6-[4-(3-chloro-phenylethynyl)-2-methyl-imidazol-1-yl]-pyrazine
IUPAC: 2-[4-[2-(3-chlorophenyl)ethynyl]-2-methylimidazol-1-yl]-6-prop-2-enoxypyrazine

Names & synonyms

SCHEMBL980669RJHMRULQEUIPOM-UHFFFAOYSA-N2-Allyloxy-6-[4-(3-chloro-phenylethynyl)-2-methyl imidazol-1-yl]-pyrazine2-Allyloxy-6-[4-(3-chloro-phenylethynyl)-2-methyl-imidazol-1-yl]-pyrazine

Database identifiers

PubChem CID: 66865611

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 52.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 516

Related reactions

4 records

New reaction record

HRID 169560As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1144033As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2194403As reactantuspto-grants-2012_12

HRID 2194404As productuspto-grants-2012_12

Compound notes

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