1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole

C12H14N2O3S — CID 775531

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole
SMILESCOc1ccc(C)cc1S(=O)(=O)n1cnc(C)c1
InChIInChI=1S/C12H14N2O3S/c1-9-4-5-11(17-3)12(6-9)18(15,16)14-7-10(2)13-8-14/h4-8H,1-3H3
InChIKeyAHVAFZNIQPSNOB-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.75
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole

1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole (PubChem CID 775531) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole
PubChem CID775531
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole
SMILESCOc1ccc(C)cc1S(=O)(=O)n1cnc(C)c1
InChIInChI=1S/C12H14N2O3S/c1-9-4-5-11(17-3)12(6-9)18(15,16)14-7-10(2)13-8-14/h4-8H,1-3H3
InChIKeyAHVAFZNIQPSNOB-UHFFFAOYSA-N
XLogP1.75
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Ethoxyphenyl)sulfonyl-4-methylimidazole
CID 801536
2-ethyl-1-(4-methoxy-2,5-dimethylbenzenesulfonyl)-4-methyl-1H-imidazole
CID 802038
1-[(2,5-Diethoxyphenyl)sulfonyl]-2-ethyl-4-methylimidazole
CID 741693
1-[(4-Methoxyphenyl)sulfonyl]-4-methylimidazole
CID 804716
1-(2-Methoxy-5-methyl-benzenesulfonyl)-2-methyl-5-nitro-1H-imidazole
CID 1125111
1-[(2-ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]-2-ethyl-1H-imidazole
CID 4914488
1-(2-Methoxy-5-methylphenyl)sulfonylbenzimidazole
CID 686062
1-(2,5-Diethoxyphenyl)sulfonyl-4-methylimidazole
CID 786059
1-(5-Chloro-2-methoxy-4-methyl-benzenesulfonyl)-4-methyl-1H-imidazole
CID 850094
1-(5-Bromo-2-methoxy-benzenesulfonyl)-2-ethyl-4-methyl-1H-imidazole
CID 1125097
1-(2-Ethoxy-5-methylphenyl)sulfonylimidazole
CID 1257840
1-[(2-ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]-4-methyl-1H-imidazole
CID 1258236

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole (CID 775531) is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole is COc1ccc(C)cc1S(=O)(=O)n1cnc(C)c1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole?
The InChIKey is AHVAFZNIQPSNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9-4-5-11(17-3)12(6-9)18(15,16)14-7-10(2)13-8-14/h4-8H,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole?
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole has a molecular weight of 266.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylimidazole is sourced from PubChem (CID 775531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).