1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole

C8H5F3N2O3S — CID 2400464

IUPAC1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole
SMILESO=S(=O)(c1ccc2ncn(O)c2c1)C(F)(F)F
InChIInChI=1S/C8H5F3N2O3S/c9-8(10,11)17(15,16)5-1-2-6-7(3-5)13(14)4-12-6/h1-4,14H
InChIKeyLORIRSIQDSQHTC-UHFFFAOYSA-N
MW266.20 g/mol
LogP1.57
Rot. Bonds1

About 1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole

1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole (PubChem CID 2400464) has the molecular formula C8H5F3N2O3S and a molecular weight of 266.20 g/mol. Its IUPAC name is 1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole.

Molecular Properties

Compound Name1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole
PubChem CID2400464
Molecular FormulaC8H5F3N2O3S
Molecular Weight266.20 g/mol
Exact Mass266.00
IUPAC Name1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole
SMILESO=S(=O)(c1ccc2ncn(O)c2c1)C(F)(F)F
InChIInChI=1S/C8H5F3N2O3S/c9-8(10,11)17(15,16)5-1-2-6-7(3-5)13(14)4-12-6/h1-4,14H
InChIKeyLORIRSIQDSQHTC-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole?
The IUPAC name of 1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole (CID 2400464) is 1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole.
What is the SMILES notation for 1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole?
The canonical SMILES for 1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole is O=S(=O)(c1ccc2ncn(O)c2c1)C(F)(F)F.
What is the InChIKey of 1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole?
The InChIKey is LORIRSIQDSQHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O3S/c9-8(10,11)17(15,16)5-1-2-6-7(3-5)13(14)4-12-6/h1-4,14H.
What are the key properties of 1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole?
1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole has a molecular weight of 266.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole is sourced from PubChem (CID 2400464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).