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4-(4-iodo-2,5-dimethyl-imidazol-1-yl)-1H-pyridin-2-one

HCID 66866564
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nc(I)c(C)n1-c1cc[nH]c(=O)c1
InChIKey
CXDVWFCIKMCEJZ-UHFFFAOYSA-N
Molecular formula
C10H10IN3O
Average molar mass
315.11 g/mol

Names & identifiers

Preferred name
4-(4-iodo-2,5-dimethyl-imidazol-1-yl)-1H-pyridin-2-one
IUPAC
4-(4-iodo-2,5-dimethylimidazol-1-yl)-1H-pyridin-2-one

Names & synonyms

SCHEMBL983117CXDVWFCIKMCEJZ-UHFFFAOYSA-N4-(4-iodo-2,5-dimethyl-imidazol-1-yl)-1H-pyridin-2-one

Database identifiers

PubChem CID
66866564

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
46.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
340

Related reactions

9 records
New reaction record
HRID 124430 reaction equation
HRID 124430As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 319497 reaction equation
HRID 319497As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 697934 reaction equation
HRID 697934As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2194421 reaction equation
HRID 2194421As reactantuspto-grants-2012_12
HRID 2194422 reaction equation
HRID 2194422As productuspto-grants-2012_12
HRID 2194428 reaction equation
HRID 2194428As reactantuspto-grants-2012_12
HRID 2194433 reaction equation
HRID 2194433As reactantuspto-grants-2012_12
HRID 2194434 reaction equation
HRID 2194434As reactantuspto-grants-2012_12
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Compound notes

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