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(+/-)-3-[2-(4-Amino-2-fluoro-phenyl)-2-oxo-ethyl]-2-methyl-5-phenyl-5-propyl-3,5-dihydro-imidazol-4-one

HCID 68463579
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCC1(c2ccccc2)N=C(C)N(CC(=O)c2ccc(N)cc2F)C1=O
InChIKey
BXKMGEHELPONGH-UHFFFAOYSA-N
Molecular formula
C21H22FN3O2
Average molar mass
367.4 g/mol

Names & identifiers

Preferred name
(+/-)-3-[2-(4-Amino-2-fluoro-phenyl)-2-oxo-ethyl]-2-methyl-5-phenyl-5-propyl-3,5-dihydro-imidazol-4-one
IUPAC
3-[2-(4-amino-2-fluorophenyl)-2-oxoethyl]-2-methyl-5-phenyl-5-propylimidazol-4-one

Names & synonyms

SCHEMBL2976419BXKMGEHELPONGH-UHFFFAOYSA-N(+/-)-3-[2-(4-amino-2-fluoro-phenyl)-2-oxo-ethyl]-2-methyl-5-phenyl-5-propyl-3,5-dihydro-imidazol-4-one

Database identifiers

PubChem CID
68463579

Properties

Computed structural properties

XLogP
3
Topological polar surface area
75.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Formal charge
0
Complexity
602

Related reactions

4 records
New reaction record
HRID 507406 reaction equation
HRID 507406As reactantuspto-grants-2010_08
HRID 507409 reaction equation
HRID 507409As productuspto-grants-2010_08
HRID 956161 reaction equation
HRID 956161As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1210773 reaction equation
HRID 1210773As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes