2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid

C11H8F2N2O2 — CID 83850964

IUPAC2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(-c2c(F)cccc2F)[nH]1
InChIInChI=1S/C11H8F2N2O2/c12-6-2-1-3-7(13)11(6)8-5-14-9(15-8)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyZKUKTKXUUYRFEI-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.98
Rot. Bonds3

About 2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid

2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid (PubChem CID 83850964) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid
PubChem CID83850964
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(-c2c(F)cccc2F)[nH]1
InChIInChI=1S/C11H8F2N2O2/c12-6-2-1-3-7(13)11(6)8-5-14-9(15-8)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyZKUKTKXUUYRFEI-UHFFFAOYSA-N
XLogP1.98
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid (CID 83850964) is 2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid is O=C(O)Cc1ncc(-c2c(F)cccc2F)[nH]1.
What is the InChIKey of 2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid?
The InChIKey is ZKUKTKXUUYRFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-6-2-1-3-7(13)11(6)8-5-14-9(15-8)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17).
What are the key properties of 2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid?
2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid has a molecular weight of 238.19 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid is sourced from PubChem (CID 83850964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).