2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid

C11H9F3N2O3 — CID 84810462

IUPAC2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
SMILESCOc1ccc2nc(C(F)(F)F)n(CC(=O)O)c2c1
InChIInChI=1S/C11H9F3N2O3/c1-19-6-2-3-7-8(4-6)16(5-9(17)18)10(15-7)11(12,13)14/h2-4H,5H2,1H3,(H,17,18)
InChIKeyGQBJJOFVQDTGIB-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.15
Rot. Bonds3

About 2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid

2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid (PubChem CID 84810462) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is 2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
PubChem CID84810462
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
SMILESCOc1ccc2nc(C(F)(F)F)n(CC(=O)O)c2c1
InChIInChI=1S/C11H9F3N2O3/c1-19-6-2-3-7-8(4-6)16(5-9(17)18)10(15-7)11(12,13)14/h2-4H,5H2,1H3,(H,17,18)
InChIKeyGQBJJOFVQDTGIB-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid (CID 84810462) is 2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid is COc1ccc2nc(C(F)(F)F)n(CC(=O)O)c2c1.
What is the InChIKey of 2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid?
The InChIKey is GQBJJOFVQDTGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c1-19-6-2-3-7-8(4-6)16(5-9(17)18)10(15-7)11(12,13)14/h2-4H,5H2,1H3,(H,17,18).
What are the key properties of 2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid?
2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid has a molecular weight of 274.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 84810462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).