3-[4-(benzyloxy)phenyl]-6-(2,2-difluoroethoxy)-1-ethyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

HCID 58577262

Notes Reactions

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Basic information

Standard SMILES: CCn1c(=O)n(-c2ccc(OCc3ccccc3)cc2)c2ncc(OCC(F)F)cc21
InChIKey: MLKHWONRXJVDLB-UHFFFAOYSA-N
Molecular formula: C23H21F2N3O3
Average molar mass: 425.4 g/mol

Names & identifiers

Preferred name: 3-[4-(benzyloxy)phenyl]-6-(2,2-difluoroethoxy)-1-ethyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
IUPAC: 6-(2,2-difluoroethoxy)-1-ethyl-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-2-one

Names & synonyms

3-[4-(benzyloxy)phenyl]-6-(2,2-difluoroethoxy)-1-ethyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-oneSCHEMBL7692670

Database identifiers

PubChem CID: 58577262

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 54.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 582

Related reactions

10 records

New reaction record

HRID 82660As productuspto-grants-2014_09

HRID 82661As reactantuspto-grants-2014_09

HRID 587574As productuspto-grants-2016_01

HRID 587575As reactantuspto-grants-2016_01

HRID 807116As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1044280As productuspto-grants-2013_10

HRID 1044281As reactantuspto-grants-2013_10

HRID 1153488As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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