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

C22H20N2O2S — CID 70697154

IUPAC6-ethylsulfonyl-2-(2-methyl-3-phenylphenyl)-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3C)[nH]c2c1
InChIInChI=1S/C22H20N2O2S/c1-3-27(25,26)17-12-13-20-21(14-17)24-22(23-20)19-11-7-10-18(15(19)2)16-8-5-4-6-9-16/h4-14H,3H2,1-2H3,(H,23,24)
InChIKeyIMBFWYWYCCHQOY-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.00
Rot. Bonds4

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

6-ethylsulfonyl-2-(2-methyl-3-phenylphenyl)-1H-benzimidazole (PubChem CID 70697154) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 6-ethylsulfonyl-2-(2-methyl-3-phenylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-ethylsulfonyl-2-(2-methyl-3-phenylphenyl)-1H-benzimidazole
PubChem CID70697154
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name6-ethylsulfonyl-2-(2-methyl-3-phenylphenyl)-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3C)[nH]c2c1
InChIInChI=1S/C22H20N2O2S/c1-3-27(25,26)17-12-13-20-21(14-17)24-22(23-20)19-11-7-10-18(15(19)2)16-8-5-4-6-9-16/h4-14H,3H2,1-2H3,(H,23,24)
InChIKeyIMBFWYWYCCHQOY-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-(2-methyl-3-phenylphenyl)-1H-benzimidazole?
The IUPAC name of 6-ethylsulfonyl-2-(2-methyl-3-phenylphenyl)-1H-benzimidazole (CID 70697154) is 6-ethylsulfonyl-2-(2-methyl-3-phenylphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-ethylsulfonyl-2-(2-methyl-3-phenylphenyl)-1H-benzimidazole?
The canonical SMILES for 6-ethylsulfonyl-2-(2-methyl-3-phenylphenyl)-1H-benzimidazole is CCS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3C)[nH]c2c1.
What is the InChIKey of 6-ethylsulfonyl-2-(2-methyl-3-phenylphenyl)-1H-benzimidazole?
The InChIKey is IMBFWYWYCCHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-3-27(25,26)17-12-13-20-21(14-17)24-22(23-20)19-11-7-10-18(15(19)2)16-8-5-4-6-9-16/h4-14H,3H2,1-2H3,(H,23,24).
What are the key properties of 6-ethylsulfonyl-2-(2-methyl-3-phenylphenyl)-1H-benzimidazole?
6-ethylsulfonyl-2-(2-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-(2-methyl-3-phenylphenyl)-1H-benzimidazole is sourced from PubChem (CID 70697154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).