2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid

C13H12F2N2O2 — CID 116878708

IUPAC2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ncc(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C13H12F2N2O2/c1-13(2,12(18)19)11-16-6-10(17-11)8-4-3-7(14)5-9(8)15/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyYHIOISFCZXJFTG-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.72
Rot. Bonds3

About 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid

2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid (PubChem CID 116878708) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
PubChem CID116878708
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ncc(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C13H12F2N2O2/c1-13(2,12(18)19)11-16-6-10(17-11)8-4-3-7(14)5-9(8)15/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyYHIOISFCZXJFTG-UHFFFAOYSA-N
XLogP2.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878702
2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine
CID 79811525
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878701
2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid
CID 116878722
2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65457746
2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65459124
5-(2,5-difluorophenyl)-1H-imidazole-2-carboxamide
CID 116883966
5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile
CID 116879884
5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid
CID 62227006
N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60854362
5-(5-fluoro-2-methoxyphenyl)-1H-imidazole-2-carboxamide
CID 116883943
2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
CID 116879061

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid (CID 116878708) is 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ncc(-c2ccc(F)cc2F)[nH]1.
What is the InChIKey of 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
The InChIKey is YHIOISFCZXJFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-13(2,12(18)19)11-16-6-10(17-11)8-4-3-7(14)5-9(8)15/h3-6H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid has a molecular weight of 266.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid is sourced from PubChem (CID 116878708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).