2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid

C26H32F3N3O4Si — CID 67973331

IUPAC2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid
SMILESCC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cc2)cn1)C(=O)O
InChIInChI=1S/C26H32F3N3O4Si/c1-25(2,24(33)34)16-36-22-11-10-20(14-30-22)18-6-8-19(9-7-18)23-31-21(26(27,28)29)15-32(23)17-35-12-13-37(3,4)5/h6-11,14-15H,12-13,16-17H2,1-5H3,(H,33,34)
InChIKeyFFKPVGNRBXOWJS-UHFFFAOYSA-N
MW535.64 g/mol
LogP6.43
Rot. Bonds11

About 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid

2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid (PubChem CID 67973331) has the molecular formula C26H32F3N3O4Si and a molecular weight of 535.64 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid
PubChem CID67973331
Molecular FormulaC26H32F3N3O4Si
Molecular Weight535.64 g/mol
Exact Mass535.21
IUPAC Name2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid
SMILESCC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cc2)cn1)C(=O)O
InChIInChI=1S/C26H32F3N3O4Si/c1-25(2,24(33)34)16-36-22-11-10-20(14-30-22)18-6-8-19(9-7-18)23-31-21(26(27,28)29)15-32(23)17-35-12-13-37(3,4)5/h6-11,14-15H,12-13,16-17H2,1-5H3,(H,33,34)
InChIKeyFFKPVGNRBXOWJS-UHFFFAOYSA-N
XLogP6.43
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.64
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid (CID 67973331) is 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid is CC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cc2)cn1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid?
The InChIKey is FFKPVGNRBXOWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O4Si/c1-25(2,24(33)34)16-36-22-11-10-20(14-30-22)18-6-8-19(9-7-18)23-31-21(26(27,28)29)15-32(23)17-35-12-13-37(3,4)5/h6-11,14-15H,12-13,16-17H2,1-5H3,(H,33,34).
What are the key properties of 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid?
2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid has a molecular weight of 535.64 g/mol, XLogP of 6.43, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid is sourced from PubChem (CID 67973331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).