1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole

C11H11F3N2O2S — CID 594620

IUPAC1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole
SMILESCCn1c(C)nc2cc(S(=O)(=O)C(F)(F)F)ccc21
InChIInChI=1S/C11H11F3N2O2S/c1-3-16-7(2)15-9-6-8(4-5-10(9)16)19(17,18)11(12,13)14/h4-6H,3H2,1-2H3
InChIKeyDBDYZOLYNLUOAR-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.66
Rot. Bonds2

About 1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole

1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole (PubChem CID 594620) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole
PubChem CID594620
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole
SMILESCCn1c(C)nc2cc(S(=O)(=O)C(F)(F)F)ccc21
InChIInChI=1S/C11H11F3N2O2S/c1-3-16-7(2)15-9-6-8(4-5-10(9)16)19(17,18)11(12,13)14/h4-6H,3H2,1-2H3
InChIKeyDBDYZOLYNLUOAR-UHFFFAOYSA-N
XLogP2.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole?
The IUPAC name of 1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole (CID 594620) is 1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole.
What is the SMILES notation for 1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole?
The canonical SMILES for 1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole is CCn1c(C)nc2cc(S(=O)(=O)C(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole?
The InChIKey is DBDYZOLYNLUOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-3-16-7(2)15-9-6-8(4-5-10(9)16)19(17,18)11(12,13)14/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole?
1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole has a molecular weight of 292.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole is sourced from PubChem (CID 594620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).