4-Bromo-2-ethyl-5-(hydroxymethyl)imidazole

HCID 10242033

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 279252-83-4
Standard SMILES: CCc1nc(Br)c(CO)[nH]1
InChIKey: FFUUYBMKWBNWJA-UHFFFAOYSA-N
Molecular formula: C6H9BrN2O
Average molar mass: 205.05 g/mol
Monoisotopic mass: 203.98983

Names & identifiers

Preferred name: 4-Bromo-2-ethyl-5-(hydroxymethyl)imidazole
IUPAC: (4-bromo-2-ethyl-1H-imidazol-5-yl)methanol

Names & synonyms

4-bromo-2-ethyl-5-(hydroxymethyl)imidazole279252-83-4SCHEMBL5212561FFUUYBMKWBNWJA-UHFFFAOYSA-NDTXSID2012789195-Bromo-2-ethyl-1H-imidazole-4-methanol(4-bromo-2-ethyl-1H-imidazol-5-yl)methanol

Database identifiers

CAS: 279252-83-4
PubChem CID: 10242033
DTXSID: DTXSID201278919

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 48.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 112

Related reactions

4 records

New reaction record

HRID 140312As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 156568As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1828816As productuspto-grants-2006_06

HRID 1828817As reactantuspto-grants-2006_06

Compound notes

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