1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole

C17H18N2O2S — CID 22200842

IUPAC1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole
SMILESCc1cc(C)c(C)c(S(=O)(=O)n2cnc3ccccc32)c1C
InChIInChI=1S/C17H18N2O2S/c1-11-9-12(2)14(4)17(13(11)3)22(20,21)19-10-18-15-7-5-6-8-16(15)19/h5-10H,1-4H3
InChIKeyGJTRTRUDXSKAFC-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.51
Rot. Bonds2

About 1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole

1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole (PubChem CID 22200842) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole
PubChem CID22200842
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole
SMILESCc1cc(C)c(C)c(S(=O)(=O)n2cnc3ccccc32)c1C
InChIInChI=1S/C17H18N2O2S/c1-11-9-12(2)14(4)17(13(11)3)22(20,21)19-10-18-15-7-5-6-8-16(15)19/h5-10H,1-4H3
InChIKeyGJTRTRUDXSKAFC-UHFFFAOYSA-N
XLogP3.51
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole (CID 22200842) is 1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole is Cc1cc(C)c(C)c(S(=O)(=O)n2cnc3ccccc32)c1C.
What is the InChIKey of 1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole?
The InChIKey is GJTRTRUDXSKAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-9-12(2)14(4)17(13(11)3)22(20,21)19-10-18-15-7-5-6-8-16(15)19/h5-10H,1-4H3.
What are the key properties of 1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole?
1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole has a molecular weight of 314.41 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 22200842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).