5-bromo-2-butyl-1-(2-methylpropyl)-1H-imidazole-4-carbonitrile

HCID 58500133
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Basic information

Standard SMILES
CCCCc1nc(C#N)c(Br)n1CC(C)C
InChIKey
VUOGGRHZFQKAMX-UHFFFAOYSA-N
Molecular formula
C12H18BrN3
Average molar mass
284.2 g/mol
Monoisotopic mass
283.06841

Names & identifiers

Preferred name
5-bromo-2-butyl-1-(2-methylpropyl)-1H-imidazole-4-carbonitrile
IUPAC
5-bromo-2-butyl-1-(2-methylpropyl)imidazole-4-carbonitrile

Names & synonyms

SCHEMBL1302080VUOGGRHZFQKAMX-UHFFFAOYSA-N5-bromo-2-butyl-1-(2-methylpropyl)-1H-imidazole-4-carbonitrile

Database identifiers

PubChem CID
58500133

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
41.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
16

Related reactions

4 records
New reaction record

Linked notes

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