3-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

HCID 59610907

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1C2CCC(C2)C1c1ncc(-c2ccc(Br)cc2)[nH]1
InChIKey
UMTDVRDWOGZPDJ-UHFFFAOYSA-N
Molecular formula
C20H24BrN3O2
Average molar mass
418.3 g/mol

Names & identifiers

Preferred name
3-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

Names & synonyms

SCHEMBL203272SCHEMBL18426928UMTDVRDWOGZPDJ-UHFFFAOYSA-N3-[5-(4-bromo-phenyl)-1H-imidazol-2-yl]-2-aza-bicyclo [2.2.1] heptane-2-carboxylic acid tert-butyl ester3-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-2-aza-bicyclo [2.2.1]heptane-2-carboxylic acid tert-butyl ester3-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
59610907

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
58.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
26

Related reactions

51 records

Compound notes

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