4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole

C15H11F3N2O2S — CID 50961209

IUPAC4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc3[nH]cnc23)cc1
InChIInChI=1S/C15H11F3N2O2S/c1-23(21,22)11-4-2-9(3-5-11)12-6-10(15(16,17)18)7-13-14(12)20-8-19-13/h2-8H,1H3,(H,19,20)
InChIKeyWUFSHDXYYVBQQU-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.65
Rot. Bonds2

About 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole

4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 50961209) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID50961209
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc3[nH]cnc23)cc1
InChIInChI=1S/C15H11F3N2O2S/c1-23(21,22)11-4-2-9(3-5-11)12-6-10(15(16,17)18)7-13-14(12)20-8-19-13/h2-8H,1H3,(H,19,20)
InChIKeyWUFSHDXYYVBQQU-UHFFFAOYSA-N
XLogP3.65
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 50961209) is 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole is CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc3[nH]cnc23)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is WUFSHDXYYVBQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c1-23(21,22)11-4-2-9(3-5-11)12-6-10(15(16,17)18)7-13-14(12)20-8-19-13/h2-8H,1H3,(H,19,20).
What are the key properties of 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 340.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 50961209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).