3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one

C18H23N3O3S — CID 123656296

IUPAC3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one
SMILESCS(C)(C)CCOCn1c(=O)n(-c2ccc(O)cc2)c2ncccc21
InChIInChI=1S/C18H23N3O3S/c1-25(2,3)12-11-24-13-20-16-5-4-10-19-17(16)21(18(20)23)14-6-8-15(22)9-7-14/h4-10,22H,11-13H2,1-3H3
InChIKeyUQHYBIQWXCRWQX-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.56
Rot. Bonds6

About 3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one

3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 123656296) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one
PubChem CID123656296
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one
SMILESCS(C)(C)CCOCn1c(=O)n(-c2ccc(O)cc2)c2ncccc21
InChIInChI=1S/C18H23N3O3S/c1-25(2,3)12-11-24-13-20-16-5-4-10-19-17(16)21(18(20)23)14-6-8-15(22)9-7-14/h4-10,22H,11-13H2,1-3H3
InChIKeyUQHYBIQWXCRWQX-UHFFFAOYSA-N
XLogP2.56
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one
CID 58577628
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-propan-2-ylacetamide
CID 71841477
N-(3-methoxypropyl)-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159278
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-propylacetamide
CID 71841486
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide
CID 71841464
N-(2-methoxyphenyl)-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841469
2-[3-(4-methoxyphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 71841399
1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one
CID 155900331
N-[(4-ethoxyphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841414
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 71841482
3-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-3H-pyrrolo[2,3-b]pyridin-2-one
CID 126590450
2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)-N-(1-pyridin-2-ylethyl)acetamide
CID 53200902

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one (CID 123656296) is 3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one is CS(C)(C)CCOCn1c(=O)n(-c2ccc(O)cc2)c2ncccc21.
What is the InChIKey of 3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is UQHYBIQWXCRWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-25(2,3)12-11-24-13-20-16-5-4-10-19-17(16)21(18(20)23)14-6-8-15(22)9-7-14/h4-10,22H,11-13H2,1-3H3.
What are the key properties of 3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one?
3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 361.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 123656296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).