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

C23H22N2O2S — CID 53483626

IUPAC2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)N=C2Cc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-18-12-14-21(15-13-18)28(26,27)25-17-22(20-10-6-3-7-11-20)24-23(25)16-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3
InChIKeyZUPVAJSELGLADJ-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.38
Rot. Bonds5

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

2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole (PubChem CID 53483626) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole
PubChem CID53483626
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)N=C2Cc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-18-12-14-21(15-13-18)28(26,27)25-17-22(20-10-6-3-7-11-20)24-23(25)16-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3
InChIKeyZUPVAJSELGLADJ-UHFFFAOYSA-N
XLogP4.38
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole
CID 101391819
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(3R,4R)-4-ethynyl-1-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-2H-quinoline
CID 177492850
(3S,4S)-3-benzyl-3-chloro-4-(chloromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 100960970
3-benzyl-8-(4-methylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane
CID 74600347
[(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
3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
CID 11198203
6-benzyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane-2,5-dione
CID 143236604
(3S,4S,5R)-5-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-3-ol
CID 141152631
(2R,3R)-3-benzyl-2-ethenyl-1-(4-methylphenyl)sulfonylazetidine
CID 134926510

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole?
The IUPAC name of 2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole (CID 53483626) is 2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole is Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)N=C2Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole?
The InChIKey is ZUPVAJSELGLADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-18-12-14-21(15-13-18)28(26,27)25-17-22(20-10-6-3-7-11-20)24-23(25)16-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3.
What are the key properties of 2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole?
2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole has a molecular weight of 390.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 53483626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).