tert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane

C36H40N2O2SSi — CID 101379315

IUPACtert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane
SMILESCc1ccc(S(=O)(=O)N2C(/C=C/c3ccccc3)=NC(C[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2C)cc1
InChIInChI=1S/C36H40N2O2SSi/c1-28-21-24-31(25-22-28)41(39,40)38-29(2)34(37-35(38)26-23-30-15-9-6-10-16-30)27-42(36(3,4)5,32-17-11-7-12-18-32)33-19-13-8-14-20-33/h6-26,29,34H,27H2,1-5H3/b26-23+
InChIKeyXGSCMAZJDZIACJ-WNAAXNPUSA-N
MW592.88 g/mol
LogP6.93
Rot. Bonds8

About tert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane

tert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane (PubChem CID 101379315) has the molecular formula C36H40N2O2SSi and a molecular weight of 592.88 g/mol. Its IUPAC name is tert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane
PubChem CID101379315
Molecular FormulaC36H40N2O2SSi
Molecular Weight592.88 g/mol
Exact Mass592.26
IUPAC Nametert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane
SMILESCc1ccc(S(=O)(=O)N2C(/C=C/c3ccccc3)=NC(C[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2C)cc1
InChIInChI=1S/C36H40N2O2SSi/c1-28-21-24-31(25-22-28)41(39,40)38-29(2)34(37-35(38)26-23-30-15-9-6-10-16-30)27-42(36(3,4)5,32-17-11-7-12-18-32)33-19-13-8-14-20-33/h6-26,29,34H,27H2,1-5H3/b26-23+
InChIKeyXGSCMAZJDZIACJ-WNAAXNPUSA-N
XLogP6.93
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.88
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one
CID 102167394
(2S,3S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3-[(E)-2-phenylethenyl]aziridine
CID 15252099
2,3-dimethyl-4-(4-methylphenyl)sulfonyl-6-[(E)-2-phenylethenyl]morpholine
CID 175950133
(2S,3R,6S)-2,3-dimethyl-4-(4-methylphenyl)sulfonyl-6-[(E)-2-phenylethenyl]morpholine
CID 170172684
(2R,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylethenyl]-2,5-dihydropyrrole
CID 134926258
2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine
CID 137346304
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
tert-butyl-[[(2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylazetidin-2-yl]methoxy]-diphenylsilane
CID 59052953
tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane
CID 10450874
5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 102187809
(4R,5S)-4-benzyl-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 15463005
tert-butyl-[(3S,4R)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-diphenylsilane
CID 59053091

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane?
The IUPAC name of tert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane (CID 101379315) is tert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane?
The canonical SMILES for tert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane is Cc1ccc(S(=O)(=O)N2C(/C=C/c3ccccc3)=NC(C[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2C)cc1.
What is the InChIKey of tert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane?
The InChIKey is XGSCMAZJDZIACJ-WNAAXNPUSA-N. The full InChI is InChI=1S/C36H40N2O2SSi/c1-28-21-24-31(25-22-28)41(39,40)38-29(2)34(37-35(38)26-23-30-15-9-6-10-16-30)27-42(36(3,4)5,32-17-11-7-12-18-32)33-19-13-8-14-20-33/h6-26,29,34H,27H2,1-5H3/b26-23+.
What are the key properties of tert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane?
tert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane has a molecular weight of 592.88 g/mol, XLogP of 6.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydroimidazol-4-yl]methyl]-diphenylsilane is sourced from PubChem (CID 101379315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).