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

C20H22N2O2S — CID 102232970

IUPAC2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole
SMILESCCc1nc(CCc2ccccc2)cn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H22N2O2S/c1-3-20-21-18(12-11-17-7-5-4-6-8-17)15-22(20)25(23,24)19-13-9-16(2)10-14-19/h4-10,13-15H,3,11-12H2,1-2H3
InChIKeyQHJFSLTZFNDBEA-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.78
Rot. Bonds6

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

2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole (PubChem CID 102232970) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole.

Molecular Properties

Compound Name2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole
PubChem CID102232970
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole
SMILESCCc1nc(CCc2ccccc2)cn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H22N2O2S/c1-3-20-21-18(12-11-17-7-5-4-6-8-17)15-22(20)25(23,24)19-13-9-16(2)10-14-19/h4-10,13-15H,3,11-12H2,1-2H3
InChIKeyQHJFSLTZFNDBEA-UHFFFAOYSA-N
XLogP3.78
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole
CID 102232968
2-ethyl-1-(4-ethylphenyl)sulfonyl-4-methylimidazole
CID 46282677
methane;N-methyl-1-[1-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanamine;oxalic acid
CID 159683971
3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole
CID 102126932
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
CID 11198203
4-benzyl-1-(4-methylphenyl)sulfonylpyrazole-5-carboxylic acid
CID 20623727
4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole
CID 70688086
N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
CID 177498842
1-(benzenesulfonyl)-3-(2-phenylethyl)-2,5-dihydropyrrole
CID 58597414
1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride
CID 18532110
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole?
The IUPAC name of 2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole (CID 102232970) is 2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole.
What is the SMILES notation for 2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole?
The canonical SMILES for 2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole is CCc1nc(CCc2ccccc2)cn1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole?
The InChIKey is QHJFSLTZFNDBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-20-21-18(12-11-17-7-5-4-6-8-17)15-22(20)25(23,24)19-13-9-16(2)10-14-19/h4-10,13-15H,3,11-12H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole?
2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole has a molecular weight of 354.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole is sourced from PubChem (CID 102232970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).