(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

C21H20N2O4 — CID 16570435

IUPAC(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
SMILESCCOCc1c(C(=O)OCc2cn3cccc(C)c3n2)oc2ccccc12
InChIInChI=1S/C21H20N2O4/c1-3-25-13-17-16-8-4-5-9-18(16)27-19(17)21(24)26-12-15-11-23-10-6-7-14(2)20(23)22-15/h4-11H,3,12-13H2,1-2H3
InChIKeySFLMDTXKJNGHTQ-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.28
Rot. Bonds6

About (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 16570435) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID16570435
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
SMILESCCOCc1c(C(=O)OCc2cn3cccc(C)c3n2)oc2ccccc12
InChIInChI=1S/C21H20N2O4/c1-3-25-13-17-16-8-4-5-9-18(16)27-19(17)21(24)26-12-15-11-23-10-6-7-14(2)20(23)22-15/h4-11H,3,12-13H2,1-2H3
InChIKeySFLMDTXKJNGHTQ-UHFFFAOYSA-N
XLogP4.28
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 16594565
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2662972
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16569338
(4-methoxycarbonylphenyl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660302
[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7961094
[2-(2-acetylhydrazinyl)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7960844
[2-(butylamino)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660980
4-O-methyl 2-O-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 47015379
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560150
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7961098
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 16519958
ethyl 3-[(5-methylfuran-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8531697

Frequently Asked Questions

What is the IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate (CID 16570435) is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate is CCOCc1c(C(=O)OCc2cn3cccc(C)c3n2)oc2ccccc12.
What is the InChIKey of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is SFLMDTXKJNGHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-25-13-17-16-8-4-5-9-18(16)27-19(17)21(24)26-12-15-11-23-10-6-7-14(2)20(23)22-15/h4-11H,3,12-13H2,1-2H3.
What are the key properties of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate?
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 16570435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).