5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C11H13N3OSi — CID 151595748

IUPAC5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESC[Si](C)(C)C#Cc1ccc2[nH]c(=O)[nH]c2n1
InChIInChI=1S/C11H13N3OSi/c1-16(2,3)7-6-8-4-5-9-10(12-8)14-11(15)13-9/h4-5H,1-3H3,(H2,12,13,14,15)
InChIKeyQJKWSVKPQFWJIQ-UHFFFAOYSA-N
MW231.33 g/mol
LogP1.48
Rot. Bonds

About 5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 151595748) has the molecular formula C11H13N3OSi and a molecular weight of 231.33 g/mol. Its IUPAC name is 5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID151595748
Molecular FormulaC11H13N3OSi
Molecular Weight231.33 g/mol
Exact Mass231.08
IUPAC Name5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESC[Si](C)(C)C#Cc1ccc2[nH]c(=O)[nH]c2n1
InChIInChI=1S/C11H13N3OSi/c1-16(2,3)7-6-8-4-5-9-10(12-8)14-11(15)13-9/h4-5H,1-3H3,(H2,12,13,14,15)
InChIKeyQJKWSVKPQFWJIQ-UHFFFAOYSA-N
XLogP1.48
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 151595748) is 5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is C[Si](C)(C)C#Cc1ccc2[nH]c(=O)[nH]c2n1.
What is the InChIKey of 5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is QJKWSVKPQFWJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OSi/c1-16(2,3)7-6-8-4-5-9-10(12-8)14-11(15)13-9/h4-5H,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 231.33 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-trimethylsilylethynyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 151595748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).