4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide

C17H22N2O5S — CID 154567633

IUPAC4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide
SMILESCOc1ccc(-c2nccn2C2CCS(=O)(=O)CC2)c(OC)c1OC
InChIInChI=1S/C17H22N2O5S/c1-22-14-5-4-13(15(23-2)16(14)24-3)17-18-8-9-19(17)12-6-10-25(20,21)11-7-12/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeySSQLCXHRXXJVDG-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.33
Rot. Bonds5

About 4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide

4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide (PubChem CID 154567633) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide
PubChem CID154567633
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide
SMILESCOc1ccc(-c2nccn2C2CCS(=O)(=O)CC2)c(OC)c1OC
InChIInChI=1S/C17H22N2O5S/c1-22-14-5-4-13(15(23-2)16(14)24-3)17-18-8-9-19(17)12-6-10-25(20,21)11-7-12/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeySSQLCXHRXXJVDG-UHFFFAOYSA-N
XLogP2.33
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide
CID 154563991
4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide
CID 155918918
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine
CID 146038437
acetic acid;4-[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]thiane 1,1-dioxide
CID 155938497
4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)thiane 1,1-dioxide
CID 154815819
4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]thiane 1,1-dioxide
CID 154817593
acetic acid;4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]thiane 1,1-dioxide
CID 155938294
2-(4-fluoro-2-methylphenyl)-1-(4-methoxycyclohexyl)imidazole
CID 165426417
4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 56877204
5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine
CID 63632385
[4-[[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol
CID 146038906

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide?
The IUPAC name of 4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide (CID 154567633) is 4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide?
The canonical SMILES for 4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide is COc1ccc(-c2nccn2C2CCS(=O)(=O)CC2)c(OC)c1OC.
What is the InChIKey of 4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide?
The InChIKey is SSQLCXHRXXJVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-22-14-5-4-13(15(23-2)16(14)24-3)17-18-8-9-19(17)12-6-10-25(20,21)11-7-12/h4-5,8-9,12H,6-7,10-11H2,1-3H3.
What are the key properties of 4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide?
4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide has a molecular weight of 366.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide is sourced from PubChem (CID 154567633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).