3-(trifluoromethoxy)-1H-benzimidazol-2-one

C8H5F3N2O2 — CID 90716289

IUPAC3-(trifluoromethoxy)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)15-13-6-4-2-1-3-5(6)12-7(13)14/h1-4H,(H,12,14)
InChIKeyBQLVMALFIIDTKW-UHFFFAOYSA-N
MW218.13 g/mol
LogP1.28
Rot. Bonds1

About 3-(trifluoromethoxy)-1H-benzimidazol-2-one

3-(trifluoromethoxy)-1H-benzimidazol-2-one (PubChem CID 90716289) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 3-(trifluoromethoxy)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(trifluoromethoxy)-1H-benzimidazol-2-one
PubChem CID90716289
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name3-(trifluoromethoxy)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)15-13-6-4-2-1-3-5(6)12-7(13)14/h1-4H,(H,12,14)
InChIKeyBQLVMALFIIDTKW-UHFFFAOYSA-N
XLogP1.28
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)-1H-benzimidazol-2-one?
The IUPAC name of 3-(trifluoromethoxy)-1H-benzimidazol-2-one (CID 90716289) is 3-(trifluoromethoxy)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(trifluoromethoxy)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(trifluoromethoxy)-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1OC(F)(F)F.
What is the InChIKey of 3-(trifluoromethoxy)-1H-benzimidazol-2-one?
The InChIKey is BQLVMALFIIDTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c9-8(10,11)15-13-6-4-2-1-3-5(6)12-7(13)14/h1-4H,(H,12,14).
What are the key properties of 3-(trifluoromethoxy)-1H-benzimidazol-2-one?
3-(trifluoromethoxy)-1H-benzimidazol-2-one has a molecular weight of 218.13 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)-1H-benzimidazol-2-one is sourced from PubChem (CID 90716289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).