Ethyl 2-bromo-1-(2-butynyl)-5-cyano-1H-imidazole-4-carboxylate

HCID 23070747
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC#CCn1c(Br)nc(C(=O)OCC)c1C#N
InChIKey
KSSINHDEAXFKGB-UHFFFAOYSA-N
Molecular formula
C11H10BrN3O2
Average molar mass
296.12 g/mol
Monoisotopic mass
294.99564

Names & identifiers

Preferred name
Ethyl 2-bromo-1-(2-butynyl)-5-cyano-1H-imidazole-4-carboxylate
IUPAC
ethyl 2-bromo-1-but-2-ynyl-5-cyanoimidazole-4-carboxylate

Names & synonyms

SCHEMBL2964453KSSINHDEAXFKGB-UHFFFAOYSA-NEthyl 2-bromo-1-(2-butynyl)-5-cyano-1H-imidazole-4-carboxylate

Database identifiers

PubChem CID
23070747

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
67.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

Loading…