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2-[4-Bromo-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester

HCID 66620159
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCC1c1nc(Br)cn1COCC[Si](C)(C)C
InChIKey
OZTJIYKKPKTKHG-UHFFFAOYSA-N
Molecular formula
C18H32BrN3O3Si
Average molar mass
446.5 g/mol

Names & identifiers

Preferred name
2-[4-Bromo-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL203341OZTJIYKKPKTKHG-UHFFFAOYSA-N2-[4-Bromo-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
66620159

Properties

Computed structural properties

Topological polar surface area
56.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
26
Formal charge
0
Complexity
481

Related reactions

11 records
New reaction record
HRID 71783 reaction equation
HRID 71783As reactantuspto-grants-2014_09
HRID 72031 reaction equation
HRID 72031As reactantuspto-grants-2014_09
HRID 79682 reaction equation
HRID 79682As reactantuspto-grants-2014_09
HRID 79737 reaction equation
HRID 79737As reactantuspto-grants-2014_09
HRID 417490 reaction equation
HRID 417490As reactantuspto-grants-2012_01
HRID 684641 reaction equation
HRID 684641As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1185654 reaction equation
HRID 1185654As reactantuspto-grants-2014_03
HRID 1185706 reaction equation
HRID 1185706As reactantuspto-grants-2014_03
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Compound notes

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