3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate

C15H11N2O3- — CID 7063876

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
SMILESO=C([O-])c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C15H12N2O3/c18-15(19)11-4-3-5-13(8-11)20-10-12-9-17-7-2-1-6-14(17)16-12/h1-9H,10H2,(H,18,19)/p-1
InChIKeyROUKEPGFOKOYLW-UHFFFAOYSA-M
MW267.26 g/mol
LogP1.28
Rot. Bonds4

About 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate (PubChem CID 7063876) has the molecular formula C15H11N2O3- and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
PubChem CID7063876
Molecular FormulaC15H11N2O3-
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
SMILESO=C([O-])c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C15H12N2O3/c18-15(19)11-4-3-5-13(8-11)20-10-12-9-17-7-2-1-6-14(17)16-12/h1-9H,10H2,(H,18,19)/p-1
InChIKeyROUKEPGFOKOYLW-UHFFFAOYSA-M
XLogP1.28
TPSA66.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24701418
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(2,4,6-trimethylphenyl)benzamide
CID 78829643
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[3-(methylamino)propyl]benzamide
CID 119431980
N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119507186
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 120659116
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-4-methoxybutan-2-yl]benzamide
CID 52843285
(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 119360221
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-ylbenzamide
CID 119388257

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate (CID 7063876) is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate is O=C([O-])c1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate?
The InChIKey is ROUKEPGFOKOYLW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12N2O3/c18-15(19)11-4-3-5-13(8-11)20-10-12-9-17-7-2-1-6-14(17)16-12/h1-9H,10H2,(H,18,19)/p-1.
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate?
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate has a molecular weight of 267.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate is sourced from PubChem (CID 7063876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).