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CHEBI:177369 - IMID-2

ChEBI IDCHEBI:177369
ChEBI NameIMID-2
Stars
DefinitionA member of the class of imidazopyrimidines that is imidazo[1,2-a]pyrimidine substituted by a [4-(3,4-dichlorophenyl)piperazin-1-yl]acetyl group at position 3.
Last Modified27 September 2023
SubmitterAdnan
DownloadsMolfile
FormulaC18H17Cl2N5O
Net Charge0
Average Mass390.274
Monoisotopic Mass389.08102
SMILESO=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cnc2ncccn12
InChIInChI=1S/C18H17Cl2N5O/c19-14-3-2-13(10-15(14)20)24-8-6-23(7-9-24)12-17(26)16-11-22-18-21-4-1-5-25(16)18/h1-5,10-11H,6-9,12H2
InChIKeyBZRASUPXGFVMFK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
IMID-2 (CHEBI:177369) has role antineoplastic agent (CHEBI:35610)
IMID-2 (CHEBI:177369) is a N-arylpiperazine (CHEBI:46848)
IMID-2 (CHEBI:177369) is a aromatic ketone (CHEBI:76224)
IMID-2 (CHEBI:177369) is a dichlorobenzene (CHEBI:23697)
IMID-2 (CHEBI:177369) is a imidazopyrimidine (CHEBI:35875)
IUPAC Name 
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-(imidazo[1,2-a]pyrimidin-3-yl)ethanone
Synonym  Source
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-(imidazo[1,2-a]pyrimidin-3-yl)ethan-1-oneIUPAC
Citations