6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C13H11N3O2S — CID 57043018

IUPAC6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc(Sc2cnc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C13H11N3O2S/c1-18-8-2-4-9(5-3-8)19-10-6-11-12(14-7-10)16-13(17)15-11/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyYMZAZPRTVVHZSK-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.41
Rot. Bonds3

About 6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 57043018) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID57043018
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc(Sc2cnc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C13H11N3O2S/c1-18-8-2-4-9(5-3-8)19-10-6-11-12(14-7-10)16-13(17)15-11/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyYMZAZPRTVVHZSK-UHFFFAOYSA-N
XLogP2.41
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 57043018) is 6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is COc1ccc(Sc2cnc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is YMZAZPRTVVHZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-18-8-2-4-9(5-3-8)19-10-6-11-12(14-7-10)16-13(17)15-11/h2-7H,1H3,(H2,14,15,16,17).
What are the key properties of 6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 273.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 57043018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).