2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole

C17H15F3N2O2S — CID 67984963

IUPAC2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole
SMILESCCS(=O)(=O)c1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C17H15F3N2O2S/c1-3-25(23,24)15-7-5-4-6-12(15)16-21-13-10-11(17(18,19)20)8-9-14(13)22(16)2/h4-10H,3H2,1-2H3
InChIKeyICOTZXWDJFCIDF-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.05
Rot. Bonds3

About 2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole

2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole (PubChem CID 67984963) has the molecular formula C17H15F3N2O2S and a molecular weight of 368.38 g/mol. Its IUPAC name is 2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole
PubChem CID67984963
Molecular FormulaC17H15F3N2O2S
Molecular Weight368.38 g/mol
Exact Mass368.08
IUPAC Name2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole
SMILESCCS(=O)(=O)c1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C17H15F3N2O2S/c1-3-25(23,24)15-7-5-4-6-12(15)16-21-13-10-11(17(18,19)20)8-9-14(13)22(16)2/h4-10H,3H2,1-2H3
InChIKeyICOTZXWDJFCIDF-UHFFFAOYSA-N
XLogP4.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole
CID 57345405
5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole
CID 90275847
2-(2-ethylsulfonylphenyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 67981504
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308134
2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118148715
2-[(4-tert-butylphenyl)methylsulfanyl]-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]benzonitrile
CID 163275992
2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118893093
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoyl chloride
CID 90382210
1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46308540
1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46309907
3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 175931774

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole (CID 67984963) is 2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole is CCS(=O)(=O)c1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is ICOTZXWDJFCIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2S/c1-3-25(23,24)15-7-5-4-6-12(15)16-21-13-10-11(17(18,19)20)8-9-14(13)22(16)2/h4-10H,3H2,1-2H3.
What are the key properties of 2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole?
2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 368.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 67984963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).