ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate

C17H16N2O2 — CID 10802698

IUPACethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)nc2ccccn12
InChIInChI=1S/C17H16N2O2/c1-3-21-17(20)16-15(13-9-7-12(2)8-10-13)18-14-6-4-5-11-19(14)16/h4-11H,3H2,1-2H3
InChIKeyKFOYJIBAAAQONP-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.49
Rot. Bonds3

About ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate

ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 10802698) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID10802698
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Nameethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)nc2ccccn12
InChIInChI=1S/C17H16N2O2/c1-3-21-17(20)16-15(13-9-7-12(2)8-10-13)18-14-6-4-5-11-19(14)16/h4-11H,3H2,1-2H3
InChIKeyKFOYJIBAAAQONP-UHFFFAOYSA-N
XLogP3.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate (CID 10802698) is ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(C)cc2)nc2ccccn12.
What is the InChIKey of ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is KFOYJIBAAAQONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-21-17(20)16-15(13-9-7-12(2)8-10-13)18-14-6-4-5-11-19(14)16/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 10802698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).