2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole

C28H22N2O2S — CID 134113625

IUPAC2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1
InChIInChI=1S/C28H22N2O2S/c1-33(31,32)25-18-16-24(17-19-25)28-29-26(22-10-6-3-7-11-22)27(30-28)23-14-12-21(13-15-23)20-8-4-2-5-9-20/h2-19H,1H3,(H,29,30)
InChIKeyVVRBFQQXDAMBSN-UHFFFAOYSA-N
MW450.56 g/mol
LogP6.48
Rot. Bonds5

About 2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole

2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole (PubChem CID 134113625) has the molecular formula C28H22N2O2S and a molecular weight of 450.56 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole
PubChem CID134113625
Molecular FormulaC28H22N2O2S
Molecular Weight450.56 g/mol
Exact Mass450.14
IUPAC Name2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1
InChIInChI=1S/C28H22N2O2S/c1-33(31,32)25-18-16-24(17-19-25)28-29-26(22-10-6-3-7-11-22)27(30-28)23-14-12-21(13-15-23)20-8-4-2-5-9-20/h2-19H,1H3,(H,29,30)
InChIKeyVVRBFQQXDAMBSN-UHFFFAOYSA-N
XLogP6.48
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole?
The IUPAC name of 2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole (CID 134113625) is 2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole is CS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole?
The InChIKey is VVRBFQQXDAMBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2S/c1-33(31,32)25-18-16-24(17-19-25)28-29-26(22-10-6-3-7-11-22)27(30-28)23-14-12-21(13-15-23)20-8-4-2-5-9-20/h2-19H,1H3,(H,29,30).
What are the key properties of 2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole?
2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole has a molecular weight of 450.56 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole is sourced from PubChem (CID 134113625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).