2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole

C21H18N2O3S — CID 24816426

IUPAC2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H18N2O3S/c1-15-7-13-18(14-8-15)27(24,25)23-20-6-4-3-5-19(20)22-21(23)16-9-11-17(26-2)12-10-16/h3-14H,1-2H3
InChIKeyZIPANEVXMZODIT-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.26
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole

2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole (PubChem CID 24816426) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole
PubChem CID24816426
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H18N2O3S/c1-15-7-13-18(14-8-15)27(24,25)23-20-6-4-3-5-19(20)22-21(23)16-9-11-17(26-2)12-10-16/h3-14H,1-2H3
InChIKeyZIPANEVXMZODIT-UHFFFAOYSA-N
XLogP4.26
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole (CID 24816426) is 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole is COc1ccc(-c2nc3ccccc3n2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole?
The InChIKey is ZIPANEVXMZODIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-15-7-13-18(14-8-15)27(24,25)23-20-6-4-3-5-19(20)22-21(23)16-9-11-17(26-2)12-10-16/h3-14H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole?
2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole has a molecular weight of 378.45 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 24816426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).