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1-Benzyl-2-methyl-5-bromo-1H-imidazole

HCID 66868795
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ncc(Br)n1Cc1ccccc1
InChIKey
YWQWLKZIILXCRG-UHFFFAOYSA-N
Molecular formula
C11H11BrN2
Average molar mass
251.12 g/mol

Names & identifiers

Preferred name
1-Benzyl-2-methyl-5-bromo-1H-imidazole
IUPAC
1-benzyl-5-bromo-2-methylimidazole

Names & synonyms

SCHEMBL989290YWQWLKZIILXCRG-UHFFFAOYSA-N1-Benzyl-2-methyl-5-bromo-1H-imidazole

Database identifiers

PubChem CID
66868795

Properties

Computed structural properties

XLogP
3
Topological polar surface area
17.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
180

Related reactions

5 records
New reaction record
HRID 208537 reaction equation
HRID 208537As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 250743 reaction equation
HRID 250743As productuspto-grants-2011_01
HRID 250744 reaction equation
HRID 250744As reactantuspto-grants-2011_01
HRID 729995 reaction equation
HRID 729995As productuspto-grants-2009_09
HRID 729996 reaction equation
HRID 729996As reactantuspto-grants-2009_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes