imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate

C18H14N2O4 — CID 7250978

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc(O)ccc12)OCc1cn2ccccc2n1
InChIInChI=1S/C18H14N2O4/c21-14-4-5-15-12(10-23-16(15)8-14)7-18(22)24-11-13-9-20-6-2-1-3-17(20)19-13/h1-6,8-10,21H,7,11H2
InChIKeyKUSROXNVXDMZIR-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.07
Rot. Bonds4

About imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate

imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 7250978) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID7250978
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc(O)ccc12)OCc1cn2ccccc2n1
InChIInChI=1S/C18H14N2O4/c21-14-4-5-15-12(10-23-16(15)8-14)7-18(22)24-11-13-9-20-6-2-1-3-17(20)19-13/h1-6,8-10,21H,7,11H2
InChIKeyKUSROXNVXDMZIR-UHFFFAOYSA-N
XLogP3.07
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 4856471
(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415600
2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414644
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 55441700
(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807183
imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
CID 90480627
imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
CID 60655585
imidazo[1,2-a]pyridin-2-ylmethyl quinoxaline-2-carboxylate
CID 71944439
imidazo[1,2-a]pyridin-2-ylmethyl (3S)-3-benzamido-3-phenylpropanoate
CID 7151780
imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate
CID 7151779
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 9456977
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415387

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate (CID 7250978) is imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate is O=C(Cc1coc2cc(O)ccc12)OCc1cn2ccccc2n1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is KUSROXNVXDMZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-14-4-5-15-12(10-23-16(15)8-14)7-18(22)24-11-13-9-20-6-2-1-3-17(20)19-13/h1-6,8-10,21H,7,11H2.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 322.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7250978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).