2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone

C12H12N2O2S — CID 103705488

IUPAC2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2ncc[nH]2)cc1
InChIInChI=1S/C12H12N2O2S/c1-16-10-4-2-9(3-5-10)11(15)8-17-12-13-6-7-14-12/h2-7H,8H2,1H3,(H,13,14)
InChIKeyZRPSNABJXWAWGK-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.39
Rot. Bonds5

About 2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone

2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone (PubChem CID 103705488) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
PubChem CID103705488
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2ncc[nH]2)cc1
InChIInChI=1S/C12H12N2O2S/c1-16-10-4-2-9(3-5-10)11(15)8-17-12-13-6-7-14-12/h2-7H,8H2,1H3,(H,13,14)
InChIKeyZRPSNABJXWAWGK-UHFFFAOYSA-N
XLogP2.39
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone 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-[4-[2-(1H-imidazol-2-ylsulfanyl)acetyl]phenoxy]-3-methylsulfonylbenzoic acid
CID 57029198
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
CID 17386104
1-(4-methoxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone
CID 2054458
1-(2,5-dimethylphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone
CID 103705497
1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone
CID 107781155
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
CID 2858387
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-propylphenyl)ethanone
CID 7225507
1-[4-(difluoromethoxy)phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 7246694
1-[4-[(2S)-butan-2-yl]phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 7225511
2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 43425714
1-(4-methoxyphenyl)-2-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]ethanone
CID 11827123
N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide
CID 40672353

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone (CID 103705488) is 2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CSc2ncc[nH]2)cc1.
What is the InChIKey of 2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is ZRPSNABJXWAWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-16-10-4-2-9(3-5-10)11(15)8-17-12-13-6-7-14-12/h2-7H,8H2,1H3,(H,13,14).
What are the key properties of 2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone?
2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 248.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 103705488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).