CHEBI:87784 - GR 65630

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name GR 65630
ChEBI ID CHEBI:87784
Definition A member of the class of methylindoles that is 1-methylindole substituted at position 3 by a 3-(4-methylimidazol-5-yl)propanoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sandra Orchard
Supplier Information
Download Molfile XML SDF
Formula C16H17N3O
Net Charge 0
Average Mass 267.326
Monoisotopic Mass 267.13716
InChI InChI=1S/C16H17N3O/c1-11-14(18-10-17-11)7-8-16(20)13-9-19(2)15-6-4-3-5-12(13)15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKey QZNZJWLUNDXZQA-UHFFFAOYSA-N
SMILES C(CCC=1N=CNC1C)(=O)C2=CN(C3=C2C=CC=C3)C
ChEBI Ontology
Outgoing GR 65630 (CHEBI:87784) is a aromatic ketone (CHEBI:76224)
GR 65630 (CHEBI:87784) is a imidazoles (CHEBI:24780)
GR 65630 (CHEBI:87784) is a methylindole (CHEBI:38460)
IUPAC Name
3-(4-methyl-1H-imidazol-5-yl)-1-(1-methyl-1H-indol-3-yl)propan-1-one
Synonyms Sources
3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone ChemIDplus
GR-65630 ChemIDplus
GR65630 ChEBI
Registry Numbers Types Sources
117186-80-8 CAS Registry Number ChemIDplus
6656966 Reaxys Registry Number Reaxys
Last Modified
06 October 2015