6-[4-(3-chloro-phenylethynyl)-2-methyl-imidazol-1-yl]-1H-pyrazin-2-one

HCID 66865366
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Basic information

Standard SMILES
Cc1nc(C#Cc2cccc(Cl)c2)cn1-c1cncc(=O)[nH]1
InChIKey
PULXLBNMNXWZTN-UHFFFAOYSA-N
Molecular formula
C16H11ClN4O
Average molar mass
310.74 g/mol
Monoisotopic mass
310.0621387

Names & identifiers

Preferred name
6-[4-(3-chloro-phenylethynyl)-2-methyl-imidazol-1-yl]-1H-pyrazin-2-one
IUPAC
6-[4-[2-(3-chlorophenyl)ethynyl]-2-methylimidazol-1-yl]-1H-pyrazin-2-one

Names & synonyms

SCHEMBL980017PULXLBNMNXWZTN-UHFFFAOYSA-N6-[4-(3-chloro-phenylethynyl)-2-methyl-imidazol-1-yl]-1H-pyrazin-2-one

Database identifiers

PubChem CID
66865366

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
59.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
22

Related reactions

2 records
New reaction record

Linked notes

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