3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one

C18H23N3O3Si — CID 58577628

IUPAC3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one
SMILESC[Si](C)(C)CCOCn1c(=O)n(-c2ccc(O)cc2)c2ncccc21
InChIInChI=1S/C18H23N3O3Si/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
InChIKeyLYVDWQFRQIQATB-UHFFFAOYSA-N
MW357.49 g/mol
LogP3.21
Rot. Bonds6

About 3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one

3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 58577628) has the molecular formula C18H23N3O3Si and a molecular weight of 357.49 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID58577628
Molecular FormulaC18H23N3O3Si
Molecular Weight357.49 g/mol
Exact Mass357.15
IUPAC Name3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one
SMILESC[Si](C)(C)CCOCn1c(=O)n(-c2ccc(O)cc2)c2ncccc21
InChIInChI=1S/C18H23N3O3Si/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
InChIKeyLYVDWQFRQIQATB-UHFFFAOYSA-N
XLogP3.21
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one (CID 58577628) is 3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one is C[Si](C)(C)CCOCn1c(=O)n(-c2ccc(O)cc2)c2ncccc21.
What is the InChIKey of 3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is LYVDWQFRQIQATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3Si/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-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one?
3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 357.49 g/mol, XLogP of 3.21, 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-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 58577628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).