1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one

C12H19N3O2Si — CID 19088655

IUPAC1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESC[Si](C)(C)CCOCn1cnc2c(=O)[nH]ccc21
InChIInChI=1S/C12H19N3O2Si/c1-18(2,3)7-6-17-9-15-8-14-11-10(15)4-5-13-12(11)16/h4-5,8H,6-7,9H2,1-3H3,(H,13,16)
InChIKeyOQQAGNJVZAABIE-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.04
Rot. Bonds5

About 1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one

1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 19088655) has the molecular formula C12H19N3O2Si and a molecular weight of 265.39 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID19088655
Molecular FormulaC12H19N3O2Si
Molecular Weight265.39 g/mol
Exact Mass265.12
IUPAC Name1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESC[Si](C)(C)CCOCn1cnc2c(=O)[nH]ccc21
InChIInChI=1S/C12H19N3O2Si/c1-18(2,3)7-6-17-9-15-8-14-11-10(15)4-5-13-12(11)16/h4-5,8H,6-7,9H2,1-3H3,(H,13,16)
InChIKeyOQQAGNJVZAABIE-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 1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one (CID 19088655) is 1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one is C[Si](C)(C)CCOCn1cnc2c(=O)[nH]ccc21.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is OQQAGNJVZAABIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2Si/c1-18(2,3)7-6-17-9-15-8-14-11-10(15)4-5-13-12(11)16/h4-5,8H,6-7,9H2,1-3H3,(H,13,16).
What are the key properties of 1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
1-(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 1-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 19088655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).