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

C17H16N2O3 — CID 112788039

IUPACethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
SMILESCCOC(=O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C17H16N2O3/c1-2-21-17(20)13-6-5-7-15(10-13)22-12-14-11-19-9-4-3-8-16(19)18-14/h3-11H,2,12H2,1H3
InChIKeyPZTDKFDUFADPMI-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.09
Rot. Bonds5

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

ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate (PubChem CID 112788039) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate.

Molecular Properties

Compound Nameethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
PubChem CID112788039
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Nameethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
SMILESCCOC(=O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C17H16N2O3/c1-2-21-17(20)13-6-5-7-15(10-13)22-12-14-11-19-9-4-3-8-16(19)18-14/h3-11H,2,12H2,1H3
InChIKeyPZTDKFDUFADPMI-UHFFFAOYSA-N
XLogP3.09
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24701418
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-pentylbenzamide
CID 134009641
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 30582719
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
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
tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate
CID 52842387
N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55576832

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate?
The IUPAC name of ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate (CID 112788039) is ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate.
What is the SMILES notation for ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate?
The canonical SMILES for ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate is CCOC(=O)c1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate?
The InChIKey is PZTDKFDUFADPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-21-17(20)13-6-5-7-15(10-13)22-12-14-11-19-9-4-3-8-16(19)18-14/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate?
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate has a molecular weight of 296.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate is sourced from PubChem (CID 112788039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).