Isopropyl 2-bromo-3-isopropyl-4-methyl-5-imidazolecarboxylate

HCID 13645930
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Basic information

Standard SMILES
Cc1c(C(=O)OC(C)C)nc(Br)n1C(C)C
InChIKey
HWZRUVUGGXYRSY-UHFFFAOYSA-N
Molecular formula
C11H17BrN2O2
Average molar mass
289.17 g/mol
Monoisotopic mass
288.04734

Names & identifiers

Preferred name
Isopropyl 2-bromo-3-isopropyl-4-methyl-5-imidazolecarboxylate
IUPAC
propan-2-yl 2-bromo-5-methyl-1-propan-2-ylimidazole-4-carboxylate

Names & synonyms

SCHEMBL10714308HWZRUVUGGXYRSY-UHFFFAOYSA-NIsopropyl 2-bromo-3-isopropyl-4-methyl-5-imidazolecarboxylate

Database identifiers

PubChem CID
13645930

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16

Related reactions

1 records
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Compound notes

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