2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid

C11H9F3N2O2 — CID 3837106

IUPAC2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C11H9F3N2O2/c1-6(9(17)18)16-8-5-3-2-4-7(8)15-10(16)11(12,13)14/h2-6H,1H3,(H,17,18)
InChIKeyVUNRUXVPLDGGOY-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.70
Rot. Bonds2

About 2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid

2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid (PubChem CID 3837106) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid
PubChem CID3837106
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C11H9F3N2O2/c1-6(9(17)18)16-8-5-3-2-4-7(8)15-10(16)11(12,13)14/h2-6H,1H3,(H,17,18)
InChIKeyVUNRUXVPLDGGOY-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid (CID 3837106) is 2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid is CC(C(=O)O)n1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid?
The InChIKey is VUNRUXVPLDGGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-6(9(17)18)16-8-5-3-2-4-7(8)15-10(16)11(12,13)14/h2-6H,1H3,(H,17,18).
What are the key properties of 2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid?
2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid has a molecular weight of 258.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 3837106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).