(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate

C19H20N2O3 — CID 55475171

IUPAC(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCc2cn3cccc(C)c3n2)cc1
InChIInChI=1S/C19H20N2O3/c1-14-5-7-17(8-6-14)23-11-9-18(22)24-13-16-12-21-10-3-4-15(2)19(21)20-16/h3-8,10,12H,9,11,13H2,1-2H3
InChIKeyIBYGTKKJTMIHJH-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.46
Rot. Bonds6

About (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate (PubChem CID 55475171) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate
PubChem CID55475171
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCc2cn3cccc(C)c3n2)cc1
InChIInChI=1S/C19H20N2O3/c1-14-5-7-17(8-6-14)23-11-9-18(22)24-13-16-12-21-10-3-4-15(2)19(21)20-16/h3-8,10,12H,9,11,13H2,1-2H3
InChIKeyIBYGTKKJTMIHJH-UHFFFAOYSA-N
XLogP3.46
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate?
The IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate (CID 55475171) is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate.
What is the SMILES notation for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate?
The canonical SMILES for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate is Cc1ccc(OCCC(=O)OCc2cn3cccc(C)c3n2)cc1.
What is the InChIKey of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate?
The InChIKey is IBYGTKKJTMIHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-5-7-17(8-6-14)23-11-9-18(22)24-13-16-12-21-10-3-4-15(2)19(21)20-16/h3-8,10,12H,9,11,13H2,1-2H3.
What are the key properties of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate?
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate has a molecular weight of 324.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate is sourced from PubChem (CID 55475171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).