Isopropyl 1-isopropyl-2-bromo-4-methyl-5-imidazolecarboxylate

HCID 13645929
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Basic information

Standard SMILES
Cc1nc(Br)n(C(C)C)c1C(=O)OC(C)C
InChIKey
QZCUILGAOGOQMV-UHFFFAOYSA-N
Molecular formula
C11H17BrN2O2
Average molar mass
289.17 g/mol
Monoisotopic mass
288.04734

Names & identifiers

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

Names & synonyms

SCHEMBL10715009QZCUILGAOGOQMV-UHFFFAOYSA-Nisopropyl 1-isopropyl-2-bromo-4-methyl-5-imidazolecarboxylate

Database identifiers

PubChem CID
13645929

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

2 records
New reaction record

Compound notes

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