2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine

C21H19N3O3S — CID 13450848

IUPAC2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine
SMILESCOc1ccc(-c2nc3ccncc3[nH]2)c(OCCS(=O)c2ccccc2)c1
InChIInChI=1S/C21H19N3O3S/c1-26-15-7-8-17(21-23-18-9-10-22-14-19(18)24-21)20(13-15)27-11-12-28(25)16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,23,24)
InChIKeyTZQZSAZLUHBIGO-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine

2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine (PubChem CID 13450848) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine
PubChem CID13450848
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine
SMILESCOc1ccc(-c2nc3ccncc3[nH]2)c(OCCS(=O)c2ccccc2)c1
InChIInChI=1S/C21H19N3O3S/c1-26-15-7-8-17(21-23-18-9-10-22-14-19(18)24-21)20(13-15)27-11-12-28(25)16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,23,24)
InChIKeyTZQZSAZLUHBIGO-UHFFFAOYSA-N
XLogP3.82
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine 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 2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine (CID 13450848) is 2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine is COc1ccc(-c2nc3ccncc3[nH]2)c(OCCS(=O)c2ccccc2)c1.
What is the InChIKey of 2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is TZQZSAZLUHBIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-26-15-7-8-17(21-23-18-9-10-22-14-19(18)24-21)20(13-15)27-11-12-28(25)16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,23,24).
What are the key properties of 2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine?
2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 393.47 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(benzenesulfinyl)ethoxy]-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 13450848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).