2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole

C28H22N2O2S — CID 122223410

IUPAC2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole
SMILESCc1ccc(S(=O)(=O)n2c(C=C(c3ccccc3)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C28H22N2O2S/c1-21-16-18-24(19-17-21)33(31,32)30-27-15-9-8-14-26(27)29-28(30)20-25(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-20H,1H3
InChIKeyOQNHCVDSXAVFCQ-UHFFFAOYSA-N
MW450.56 g/mol
LogP6.17
Rot. Bonds5

About 2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole

2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole (PubChem CID 122223410) has the molecular formula C28H22N2O2S and a molecular weight of 450.56 g/mol. Its IUPAC name is 2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole
PubChem CID122223410
Molecular FormulaC28H22N2O2S
Molecular Weight450.56 g/mol
Exact Mass450.14
IUPAC Name2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole
SMILESCc1ccc(S(=O)(=O)n2c(C=C(c3ccccc3)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C28H22N2O2S/c1-21-16-18-24(19-17-21)33(31,32)30-27-15-9-8-14-26(27)29-28(30)20-25(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-20H,1H3
InChIKeyOQNHCVDSXAVFCQ-UHFFFAOYSA-N
XLogP6.17
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole?
The IUPAC name of 2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole (CID 122223410) is 2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole is Cc1ccc(S(=O)(=O)n2c(C=C(c3ccccc3)c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole?
The InChIKey is OQNHCVDSXAVFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2S/c1-21-16-18-24(19-17-21)33(31,32)30-27-15-9-8-14-26(27)29-28(30)20-25(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-20H,1H3.
What are the key properties of 2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole?
2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole has a molecular weight of 450.56 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 122223410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).