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1-Allyl-3-benzyl-4-chloro-1,3-dihydroimidazo[4,5-c]pyridin-2-one

HCID 23070592
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCn1c(=O)n(Cc2ccccc2)c2c(Cl)nccc21
InChIKey
PTBCPIFRRQSXQL-UHFFFAOYSA-N
Molecular formula
C16H14ClN3O
Average molar mass
299.75 g/mol

Names & identifiers

Preferred name
1-Allyl-3-benzyl-4-chloro-1,3-dihydroimidazo[4,5-c]pyridin-2-one
IUPAC
3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one

Names & synonyms

SCHEMBL2965839PTBCPIFRRQSXQL-UHFFFAOYSA-N1-Allyl-3-benzyl-4-chloro-1,3-dihydroimidazo[4,5-c]pyridin-2-one1-Allyl-3-benzyl-4-chloro-1,3-dihydroimidazo[4.5-c]pyridin-2-one

Database identifiers

PubChem CID
23070592

Properties

Computed structural propertiesFilling in

XLogP
3
Topological polar surface area
36.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
397

Related reactions

5 records
New reaction record
HRID 501441 reaction equation
HRID 501441As productuspto-grants-2010_08
HRID 501442 reaction equation
HRID 501442As reactantuspto-grants-2010_08
HRID 1212714 reaction equation
HRID 1212714As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2112912 reaction equation
HRID 2112912As productuspto-grants-2009_04
HRID 2112913 reaction equation
HRID 2112913As reactantuspto-grants-2009_04

Compound notes

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