Ethyl 3-(phenoxymethyl)imidazo[1,2-a]pyridine-2-carboxylate

HCID 58355295

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)c1nc2ccccn2c1COc1ccccc1
InChIKey: ICTKBMDCPAPUCO-UHFFFAOYSA-N
Molecular formula: C17H16N2O3
Average molar mass: 296.32 g/mol
Monoisotopic mass: 296.11609238

Names & identifiers

Preferred name: Ethyl 3-(phenoxymethyl)imidazo[1,2-a]pyridine-2-carboxylate
IUPAC: ethyl 3-(phenoxymethyl)imidazo[1,2-a]pyridine-2-carboxylate

Names & synonyms

ethyl 3-(phenoxymethyl)imidazo[1,2-a]pyridine-2-carboxylateSCHEMBL2217253ICTKBMDCPAPUCO-UHFFFAOYSA-NDB-3851981202262-97-2

Database identifiers

PubChem CID: 58355295

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 52.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 371

Related reactions

10 records

New reaction record

HRID 179282As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 182230As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1184197As productuspto-grants-2014_03

HRID 1184203As reactantuspto-grants-2014_03

HRID 1260022As productuspto-grants-2013_06

HRID 1260028As reactantuspto-grants-2013_06

HRID 1509530As productuspto-grants-2015_12

HRID 1509536As reactantuspto-grants-2015_12

Compound notes

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