4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine

C28H23N3O2S2 — CID 5126816

IUPAC4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine
SMILESCc1ccc(-c2nc(SS(=O)(=O)c3ccccc3)c(N(c3ccccc3)c3ccccc3)[nH]2)cc1
InChIInChI=1S/C28H23N3O2S2/c1-21-17-19-22(20-18-21)26-29-27(28(30-26)34-35(32,33)25-15-9-4-10-16-25)31(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-20H,1H3,(H,29,30)
InChIKeyBRHQYFGPDXEDNL-UHFFFAOYSA-N
MW497.65 g/mol
LogP7.34
Rot. Bonds7

About 4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine

4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine (PubChem CID 5126816) has the molecular formula C28H23N3O2S2 and a molecular weight of 497.65 g/mol. Its IUPAC name is 4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine
PubChem CID5126816
Molecular FormulaC28H23N3O2S2
Molecular Weight497.65 g/mol
Exact Mass497.12
IUPAC Name4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine
SMILESCc1ccc(-c2nc(SS(=O)(=O)c3ccccc3)c(N(c3ccccc3)c3ccccc3)[nH]2)cc1
InChIInChI=1S/C28H23N3O2S2/c1-21-17-19-22(20-18-21)26-29-27(28(30-26)34-35(32,33)25-15-9-4-10-16-25)31(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-20H,1H3,(H,29,30)
InChIKeyBRHQYFGPDXEDNL-UHFFFAOYSA-N
XLogP7.34
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.65
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide
CID 138963611
N-(4-fluorophenyl)-2-{[2-(4-methylphenyl)-4-(phenylsulfonyl)-1H-imidazol-5-yl]sulfanyl}acetamide
CID 17746943
N-(3-fluorophenyl)-2-{[2-(4-methylphenyl)-4-(phenylsulfonyl)-1H-imidazol-5-yl]sulfanyl}acetamide
CID 17746953
4-methyl-N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide
CID 60065418
N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide
CID 149356576
4-(4-methylphenyl)sulfonylsulfanyl-N,N,2-triphenyl-1H-imidazol-5-amine
CID 3103563
N-(4-methylphenyl)-2-{[2-(4-methylphenyl)-4-(phenylsulfonyl)-1H-imidazol-5-yl]sulfanyl}acetamide
CID 17746923
N-(2-ethylphenyl)-2-{[2-(4-methylphenyl)-4-(phenylsulfonyl)-1H-imidazol-5-yl]sulfanyl}acetamide
CID 17746934
N-(3-methylphenyl)-2-{[2-(4-methylphenyl)-4-(phenylsulfonyl)-1H-imidazol-5-yl]sulfanyl}acetamide
CID 17746938
N-(2-methylphenyl)-2-{[2-(4-methylphenyl)-4-(phenylsulfonyl)-1H-imidazol-5-yl]sulfanyl}acetamide
CID 17746946
4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide
CID 101078603
2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole
CID 134113625

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine?
The IUPAC name of 4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine (CID 5126816) is 4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine?
The canonical SMILES for 4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine is Cc1ccc(-c2nc(SS(=O)(=O)c3ccccc3)c(N(c3ccccc3)c3ccccc3)[nH]2)cc1.
What is the InChIKey of 4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine?
The InChIKey is BRHQYFGPDXEDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2S2/c1-21-17-19-22(20-18-21)26-29-27(28(30-26)34-35(32,33)25-15-9-4-10-16-25)31(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-20H,1H3,(H,29,30).
What are the key properties of 4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine?
4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine has a molecular weight of 497.65 g/mol, XLogP of 7.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine is sourced from PubChem (CID 5126816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).