2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride

C16H16ClN2O2S- — CID 21204339

IUPAC2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride
SMILESCc1cc(C)c(S(=O)(=O)c2nc3ccccc3[nH]2)c(C)c1.[Cl-]
InChIInChI=1S/C16H16N2O2S.ClH/c1-10-8-11(2)15(12(3)9-10)21(19,20)16-17-13-6-4-5-7-14(13)18-16;/h4-9H,1-3H3,(H,17,18);1H/p-1
InChIKeyXHVOYSYGDWKNQS-UHFFFAOYSA-M
MW335.84 g/mol
LogP0.32
Rot. Bonds2

About 2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride

2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride (PubChem CID 21204339) has the molecular formula C16H16ClN2O2S- and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride
PubChem CID21204339
Molecular FormulaC16H16ClN2O2S-
Molecular Weight335.84 g/mol
Exact Mass335.06
IUPAC Name2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride
SMILESCc1cc(C)c(S(=O)(=O)c2nc3ccccc3[nH]2)c(C)c1.[Cl-]
InChIInChI=1S/C16H16N2O2S.ClH/c1-10-8-11(2)15(12(3)9-10)21(19,20)16-17-13-6-4-5-7-14(13)18-16;/h4-9H,1-3H3,(H,17,18);1H/p-1
InChIKeyXHVOYSYGDWKNQS-UHFFFAOYSA-M
XLogP0.32
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1H-benzimidazole-2-sulfonamide
CID 23041875
1H-benzimidazol-2-yl(trimethyl)-λ4-sulfane
CID 123457333
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
CID 23771917
CID 57351349
CID 57351349
2-methyl-1H-benzimidazole
CID 11984
2-[(3-methyl-4-nitroso-2-pyridinyl)methylsulfonyl]-1H-benzimidazole
CID 88979518
N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide
CID 3087601
2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole
CID 3094288
2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole
CID 71639600
2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazole
CID 7853646
1H-indol-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9326892

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride?
The IUPAC name of 2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride (CID 21204339) is 2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride is Cc1cc(C)c(S(=O)(=O)c2nc3ccccc3[nH]2)c(C)c1.[Cl-].
What is the InChIKey of 2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride?
The InChIKey is XHVOYSYGDWKNQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N2O2S.ClH/c1-10-8-11(2)15(12(3)9-10)21(19,20)16-17-13-6-4-5-7-14(13)18-16;/h4-9H,1-3H3,(H,17,18);1H/p-1.
What are the key properties of 2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride?
2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride has a molecular weight of 335.84 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)sulfonyl-1H-benzimidazole chloride is sourced from PubChem (CID 21204339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).