2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole

C19H20N2O2S — CID 102232968

IUPAC2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole
SMILESCc1ccc(S(=O)(=O)n2cc(CCc3ccccc3)nc2C)cc1
InChIInChI=1S/C19H20N2O2S/c1-15-8-12-19(13-9-15)24(22,23)21-14-18(20-16(21)2)11-10-17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3
InChIKeySQPHWBVJMBKESG-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.52
Rot. Bonds5

About 2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole

2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole (PubChem CID 102232968) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole
PubChem CID102232968
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole
SMILESCc1ccc(S(=O)(=O)n2cc(CCc3ccccc3)nc2C)cc1
InChIInChI=1S/C19H20N2O2S/c1-15-8-12-19(13-9-15)24(22,23)21-14-18(20-16(21)2)11-10-17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3
InChIKeySQPHWBVJMBKESG-UHFFFAOYSA-N
XLogP3.52
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole
CID 102232970
3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
CID 11198203
methane;N-methyl-1-[1-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanamine;oxalic acid
CID 159683971
4-benzyl-1-(4-methylphenyl)sulfonylpyrazole-5-carboxylic acid
CID 20623727
4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole
CID 70688086
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
3-benzyl-2-(4-methylphenyl)sulfonyl-4H-indeno[1,2-c]pyrrole
CID 154715131
1-(4-methylphenyl)sulfonyl-5-(2-phenylethyl)pyrrolidin-3-one
CID 102236049
1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole
CID 134950379
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
CID 177498842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole (CID 102232968) is 2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole is Cc1ccc(S(=O)(=O)n2cc(CCc3ccccc3)nc2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole?
The InChIKey is SQPHWBVJMBKESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-15-8-12-19(13-9-15)24(22,23)21-14-18(20-16(21)2)11-10-17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole?
2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole has a molecular weight of 340.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole is sourced from PubChem (CID 102232968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).