3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one

C12H19N3O2Si — CID 23137346

IUPAC3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESC[Si](C)(C)CCOCn1cnc2cc[nH]c(=O)c21
InChIInChI=1S/C12H19N3O2Si/c1-18(2,3)7-6-17-9-15-8-14-10-4-5-13-12(16)11(10)15/h4-5,8H,6-7,9H2,1-3H3,(H,13,16)
InChIKeyLUYSPWPKNWGVAJ-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.04
Rot. Bonds5

About 3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one

3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 23137346) has the molecular formula C12H19N3O2Si and a molecular weight of 265.39 g/mol. Its IUPAC name is 3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID23137346
Molecular FormulaC12H19N3O2Si
Molecular Weight265.39 g/mol
Exact Mass265.12
IUPAC Name3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESC[Si](C)(C)CCOCn1cnc2cc[nH]c(=O)c21
InChIInChI=1S/C12H19N3O2Si/c1-18(2,3)7-6-17-9-15-8-14-10-4-5-13-12(16)11(10)15/h4-5,8H,6-7,9H2,1-3H3,(H,13,16)
InChIKeyLUYSPWPKNWGVAJ-UHFFFAOYSA-N
XLogP2.04
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one (CID 23137346) is 3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one is C[Si](C)(C)CCOCn1cnc2cc[nH]c(=O)c21.
What is the InChIKey of 3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is LUYSPWPKNWGVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2Si/c1-18(2,3)7-6-17-9-15-8-14-10-4-5-13-12(16)11(10)15/h4-5,8H,6-7,9H2,1-3H3,(H,13,16).
What are the key properties of 3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 265.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 23137346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).