3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one

C11H11F3N2O2 — CID 117208518

IUPAC3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCOCCn1c(=O)[nH]c2cccc(C(F)(F)F)c21
InChIInChI=1S/C11H11F3N2O2/c1-18-6-5-16-9-7(11(12,13)14)3-2-4-8(9)15-10(16)17/h2-4H,5-6H2,1H3,(H,15,17)
InChIKeyVWGOSWJZJITOOF-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.99
Rot. Bonds3

About 3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one

3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 117208518) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID117208518
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCOCCn1c(=O)[nH]c2cccc(C(F)(F)F)c21
InChIInChI=1S/C11H11F3N2O2/c1-18-6-5-16-9-7(11(12,13)14)3-2-4-8(9)15-10(16)17/h2-4H,5-6H2,1H3,(H,15,17)
InChIKeyVWGOSWJZJITOOF-UHFFFAOYSA-N
XLogP1.99
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one (CID 117208518) is 3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one is COCCn1c(=O)[nH]c2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is VWGOSWJZJITOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-18-6-5-16-9-7(11(12,13)14)3-2-4-8(9)15-10(16)17/h2-4H,5-6H2,1H3,(H,15,17).
What are the key properties of 3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one?
3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 260.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).