CHEBI:83719 - 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one

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ChEBI Name 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one
ChEBI ID CHEBI:83719
ChEBI ASCII Name 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one
Definition A ketone that is butan-2-one substituted by a 4-chlorophenoxy and a 1H-imidazol-1-yl group at position 1 and 2 methyl groups at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H17ClN2O2
Net Charge 0
Average Mass 292.761
Monoisotopic Mass 292.098
InChI InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3
InChIKey OWEGWHBOCFMBLP-UHFFFAOYSA-N
SMILES C(C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl)(C)(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one (CHEBI:83719) is a aromatic ether (CHEBI:35618)
1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one (CHEBI:83719) is a hemiaminal ether (CHEBI:141498)
1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one (CHEBI:83719) is a imidazoles (CHEBI:24780)
1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one (CHEBI:83719) is a ketone (CHEBI:17087)
1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one (CHEBI:83719) is a monochlorobenzenes (CHEBI:83403)
Incoming (R)-climbazole (CHEBI:83720) is a 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one (CHEBI:83719)
(S)-climbazole (CHEBI:83722) is a 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one (CHEBI:83719)
IUPAC Name
1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one
Manual Xref Database
2454 PPDB
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Last Modified
24 July 2018