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

C10H7F3N2O2 — CID 675083

IUPAC2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)9-14-6-3-1-2-4-7(6)15(9)5-8(16)17/h1-4H,5H2,(H,16,17)
InChIKeyGPOYZFXQCCJBTF-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.14
Rot. Bonds2

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

2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid (PubChem CID 675083) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
PubChem CID675083
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)9-14-6-3-1-2-4-7(6)15(9)5-8(16)17/h1-4H,5H2,(H,16,17)
InChIKeyGPOYZFXQCCJBTF-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.14
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]acetic acid?
The IUPAC name of 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid (CID 675083) is 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid is O=C(O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid?
The InChIKey is GPOYZFXQCCJBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)9-14-6-3-1-2-4-7(6)15(9)5-8(16)17/h1-4H,5H2,(H,16,17).
What are the key properties of 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid?
2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid has a molecular weight of 244.17 g/mol, XLogP of 2.14, 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]acetic acid is sourced from PubChem (CID 675083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).