1-(2,2-Dimethyl-4-bromo-1,2-dihydronaphthalin-1-yl)-5-imidazolecarboxylic acid methyl ester

HCID 67861998
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Basic information

Standard SMILES
COC(=O)c1cncn1C1c2ccccc2C(Br)=CC1(C)C
InChIKey
QWUIKQNEQSOKOY-UHFFFAOYSA-N
Molecular formula
C17H17BrN2O2
Average molar mass
361.2 g/mol

Names & identifiers

Preferred name
1-(2,2-Dimethyl-4-bromo-1,2-dihydronaphthalin-1-yl)-5-imidazolecarboxylic acid methyl ester
IUPAC
methyl 3-(4-bromo-2,2-dimethyl-1H-naphthalen-1-yl)imidazole-4-carboxylate

Names & synonyms

SCHEMBL9494629QWUIKQNEQSOKOY-UHFFFAOYSA-N1-(2,2-dimethyl-4-bromo-1,2-dihydronaphthalin-1-yl)-5-imidazolecarboxylic acid methyl ester

Database identifiers

PubChem CID
67861998

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
22

Related reactions

1 records
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Compound notes

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