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

C10H7F5N2O2S — CID 62068548

IUPAC6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H7F5N2O2S/c1-20(18,19)5-2-3-6-7(4-5)17-8(16-6)9(11,12)10(13,14)15/h2-4H,1H3,(H,16,17)
InChIKeyCOGWVTXYQOSDBJ-UHFFFAOYSA-N
MW314.24 g/mol
LogP2.62
Rot. Bonds2

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

6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole (PubChem CID 62068548) has the molecular formula C10H7F5N2O2S and a molecular weight of 314.24 g/mol. Its IUPAC name is 6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
PubChem CID62068548
Molecular FormulaC10H7F5N2O2S
Molecular Weight314.24 g/mol
Exact Mass314.01
IUPAC Name6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H7F5N2O2S/c1-20(18,19)5-2-3-6-7(4-5)17-8(16-6)9(11,12)10(13,14)15/h2-4H,1H3,(H,16,17)
InChIKeyCOGWVTXYQOSDBJ-UHFFFAOYSA-N
XLogP2.62
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The IUPAC name of 6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole (CID 62068548) is 6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole.
What is the SMILES notation for 6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The canonical SMILES for 6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole is CS(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1.
What is the InChIKey of 6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The InChIKey is COGWVTXYQOSDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O2S/c1-20(18,19)5-2-3-6-7(4-5)17-8(16-6)9(11,12)10(13,14)15/h2-4H,1H3,(H,16,17).
What are the key properties of 6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole has a molecular weight of 314.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole is sourced from PubChem (CID 62068548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).