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ChEBI
> Main
CHEBI:177369 - IMID-2
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ChEBI Ontology
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ChEBI Name
IMID-2
ChEBI ID
CHEBI:177369
Definition
A 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.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H17Cl2N5O
Net Charge
0
Average Mass
390.270
Monoisotopic Mass
389.08102
InChI
InChI=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
InChIKey
BZRASUPXGFVMFK-UHFFFAOYSA-N
SMILES
ClC1=C(Cl)C=C(C=C1)N1CCN(CC(=O)C2=CN=C3N=CC=CN23)CC1
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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-one
IUPAC
Citations
Types
Sources
33570183
PubMed citation
Europe PMC
36882885
PubMed citation
Europe PMC
Last Modified
27 September 2023