2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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

C46H50F6N6O7Si — CID 158288087

About 2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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

2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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 158288087) has the molecular formula C46H50F6N6O7Si and a molecular weight of 941.01 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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.

Molecular Properties

• Compound Name: 2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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: 158288087
• Molecular Formula: C46H50F6N6O7Si
• Molecular Weight: 941.01 g/mol
• Exact Mass: 940.34
• IUPAC Name: 2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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
• SMILES: CC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cc2)cn1)C(=O)O.CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cc2)cn1)C(=O)O
• InChI: InChI=1S/C26H32F3N3O4Si.C20H18F3N3O3/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;1-19(2,18(27)28)11-29-16-8-7-14(9-24-16)12-3-5-13(6-4-12)17-25-10-15(26-17)20(21,22)23/h6-11,14-15H,12-13,16-17H2,1-5H3,(H,33,34);3-10H,11H2,1-2H3,(H,25,26)(H,27,28)
• InChIKey: GLAJOSZJZHSCQQ-UHFFFAOYSA-N
• XLogP: 11.08
• TPSA: 174.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.01
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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?

The IUPAC name of 2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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 (CID 158288087) is 2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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.

What is the SMILES notation for 2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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?

The canonical SMILES for 2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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 is CC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cc2)cn1)C(=O)O.CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cc2)cn1)C(=O)O.

What is the InChIKey of 2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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?

The InChIKey is GLAJOSZJZHSCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O4Si.C20H18F3N3O3/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;1-19(2,18(27)28)11-29-16-8-7-14(9-24-16)12-3-5-13(6-4-12)17-25-10-15(26-17)20(21,22)23/h6-11,14-15H,12-13,16-17H2,1-5H3,(H,33,34);3-10H,11H2,1-2H3,(H,25,26)(H,27,28).

What are the key properties of 2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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?

2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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 941.01 g/mol, XLogP of 11.08, 17 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-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 is sourced from PubChem (CID 158288087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).