6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole

C22H20N2O2S — CID 70688847

IUPAC6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc2nc(-c3ccc(C)c(-c4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C22H20N2O2S/c1-3-27(25,26)18-11-12-20-21(14-18)24-22(23-20)17-10-9-15(2)19(13-17)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,23,24)
InChIKeyUFIJMRPHGQWUEU-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.00
Rot. Bonds4

About 6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole

6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole (PubChem CID 70688847) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole
PubChem CID70688847
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc2nc(-c3ccc(C)c(-c4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C22H20N2O2S/c1-3-27(25,26)18-11-12-20-21(14-18)24-22(23-20)17-10-9-15(2)19(13-17)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,23,24)
InChIKeyUFIJMRPHGQWUEU-UHFFFAOYSA-N
XLogP5.00
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole?
The IUPAC name of 6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole (CID 70688847) is 6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole?
The canonical SMILES for 6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole is CCS(=O)(=O)c1ccc2nc(-c3ccc(C)c(-c4ccccc4)c3)[nH]c2c1.
What is the InChIKey of 6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole?
The InChIKey is UFIJMRPHGQWUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-3-27(25,26)18-11-12-20-21(14-18)24-22(23-20)17-10-9-15(2)19(13-17)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,23,24).
What are the key properties of 6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole?
6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole has a molecular weight of 376.48 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole is sourced from PubChem (CID 70688847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).