6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole

C10H9F3N2O2S — CID 62069159

IUPAC6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(CC(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H9F3N2O2S/c1-18(16,17)6-2-3-7-8(4-6)15-9(14-7)5-10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyALEBELDIECWQHR-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.07
Rot. Bonds2

About 6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole

6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole (PubChem CID 62069159) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.26 g/mol. Its IUPAC name is 6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
PubChem CID62069159
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.26 g/mol
Exact Mass278.03
IUPAC Name6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(CC(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H9F3N2O2S/c1-18(16,17)6-2-3-7-8(4-6)15-9(14-7)5-10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyALEBELDIECWQHR-UHFFFAOYSA-N
XLogP2.07
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole?
The IUPAC name of 6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole (CID 62069159) is 6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole.
What is the SMILES notation for 6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole?
The canonical SMILES for 6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole is CS(=O)(=O)c1ccc2nc(CC(F)(F)F)[nH]c2c1.
What is the InChIKey of 6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole?
The InChIKey is ALEBELDIECWQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c1-18(16,17)6-2-3-7-8(4-6)15-9(14-7)5-10(11,12)13/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole?
6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole has a molecular weight of 278.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-2-(2,2,2-trifluoroethyl)-1H-benzimidazole is sourced from PubChem (CID 62069159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).