1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole

C19H22N2O2S — CID 101391819

IUPAC1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole
SMILESCCCC1=NC(c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-7-19-20-18(16-8-5-4-6-9-16)14-21(19)24(22,23)17-12-10-15(2)11-13-17/h4-6,8-13,18H,3,7,14H2,1-2H3
InChIKeyALDOXQHWISWZEU-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.94
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole

1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole (PubChem CID 101391819) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole
PubChem CID101391819
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole
SMILESCCCC1=NC(c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-7-19-20-18(16-8-5-4-6-9-16)14-21(19)24(22,23)17-12-10-15(2)11-13-17/h4-6,8-13,18H,3,7,14H2,1-2H3
InChIKeyALDOXQHWISWZEU-UHFFFAOYSA-N
XLogP3.94
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole
CID 53483626
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
[(3R,4R)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine
CID 120765992
4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydro-1,4-benzoxazine
CID 86212473
(3R,4R)-4-ethynyl-1-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-2H-quinoline
CID 177492850
(3S,4S,5R)-5-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-3-ol
CID 141152631
4-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 54671505
1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine
CID 102402863
(4R,5S)-1-(4-bromophenyl)sulfonyl-5-ethyl-4-phenylpiperidin-2-one
CID 139122161
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydro-3-benzazepin-4-one
CID 155907249
5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 101493504

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole (CID 101391819) is 1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole is CCCC1=NC(c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole?
The InChIKey is ALDOXQHWISWZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-7-19-20-18(16-8-5-4-6-9-16)14-21(19)24(22,23)17-12-10-15(2)11-13-17/h4-6,8-13,18H,3,7,14H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole?
1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole has a molecular weight of 342.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole is sourced from PubChem (CID 101391819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).