1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole

C10H9F3N2O2S — CID 22903244

IUPAC1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole
SMILESCCn1cnc2cc(S(=O)(=O)C(F)(F)F)ccc21
InChIInChI=1S/C10H9F3N2O2S/c1-2-15-6-14-8-5-7(3-4-9(8)15)18(16,17)10(11,12)13/h3-6H,2H2,1H3
InChIKeyRCQPJPWAVWKHFX-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.35
Rot. Bonds2

About 1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole

1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole (PubChem CID 22903244) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole
PubChem CID22903244
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.26 g/mol
Exact Mass278.03
IUPAC Name1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole
SMILESCCn1cnc2cc(S(=O)(=O)C(F)(F)F)ccc21
InChIInChI=1S/C10H9F3N2O2S/c1-2-15-6-14-8-5-7(3-4-9(8)15)18(16,17)10(11,12)13/h3-6H,2H2,1H3
InChIKeyRCQPJPWAVWKHFX-UHFFFAOYSA-N
XLogP2.35
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole?
The IUPAC name of 1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole (CID 22903244) is 1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole.
What is the SMILES notation for 1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole?
The canonical SMILES for 1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole is CCn1cnc2cc(S(=O)(=O)C(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole?
The InChIKey is RCQPJPWAVWKHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c1-2-15-6-14-8-5-7(3-4-9(8)15)18(16,17)10(11,12)13/h3-6H,2H2,1H3.
What are the key properties of 1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole?
1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole has a molecular weight of 278.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole is sourced from PubChem (CID 22903244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).