[2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate

C17H14N2O3 — CID 3529980

IUPAC[2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccc(C(=O)COC(=O)c2cn3ccccc3n2)cc1
InChIInChI=1S/C17H14N2O3/c1-12-5-7-13(8-6-12)15(20)11-22-17(21)14-10-19-9-3-2-4-16(19)18-14/h2-10H,11H2,1H3
InChIKeyIYBNUXDEJIBRAL-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.68
Rot. Bonds4

About [2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate

[2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 3529980) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID3529980
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccc(C(=O)COC(=O)c2cn3ccccc3n2)cc1
InChIInChI=1S/C17H14N2O3/c1-12-5-7-13(8-6-12)15(20)11-22-17(21)14-10-19-9-3-2-4-16(19)18-14/h2-10H,11H2,1H3
InChIKeyIYBNUXDEJIBRAL-UHFFFAOYSA-N
XLogP2.68
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate (CID 3529980) is [2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate is Cc1ccc(C(=O)COC(=O)c2cn3ccccc3n2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is IYBNUXDEJIBRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-12-5-7-13(8-6-12)15(20)11-22-17(21)14-10-19-9-3-2-4-16(19)18-14/h2-10H,11H2,1H3.
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
[2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 3529980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).