ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate

C18H19N3O3 — CID 123322949

IUPACethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate
SMILESCCOC(=O)Cc1ccc2[nH]c(-c3ccc(OCC)cc3)nc2n1
InChIInChI=1S/C18H19N3O3/c1-3-23-14-8-5-12(6-9-14)17-20-15-10-7-13(19-18(15)21-17)11-16(22)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,20,21)
InChIKeyBILYVQSEQWUHNZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.13
Rot. Bonds6

About ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate

ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate (PubChem CID 123322949) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate
PubChem CID123322949
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate
SMILESCCOC(=O)Cc1ccc2[nH]c(-c3ccc(OCC)cc3)nc2n1
InChIInChI=1S/C18H19N3O3/c1-3-23-14-8-5-12(6-9-14)17-20-15-10-7-13(19-18(15)21-17)11-16(22)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,20,21)
InChIKeyBILYVQSEQWUHNZ-UHFFFAOYSA-N
XLogP3.13
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone
CID 82085429
[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82289204
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070
2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63030910
ethyl 4-[4-(6-methoxy-1H-benzimidazol-2-yl)phenoxy]butanoate
CID 103597171
ethyl 4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenoxy]butanoate
CID 103597145
2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911966
ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 79474241
5-ethoxy-2-(6-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 79815692
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 40692441
ethyl 2-[5-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133096647
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate (CID 123322949) is ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate is CCOC(=O)Cc1ccc2[nH]c(-c3ccc(OCC)cc3)nc2n1.
What is the InChIKey of ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate?
The InChIKey is BILYVQSEQWUHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-23-14-8-5-12(6-9-14)17-20-15-10-7-13(19-18(15)21-17)11-16(22)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,20,21).
What are the key properties of ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate?
ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate has a molecular weight of 325.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate is sourced from PubChem (CID 123322949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).