methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate

C26H33F3N4O4Si — CID 67973260

IUPACmethyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate
SMILESCOC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)c(COCC[Si](C)(C)C)[nH]3)cn2)cn1
InChIInChI=1S/C26H33F3N4O4Si/c1-25(2,24(34)35-3)16-37-21-10-8-17(13-31-21)19-9-7-18(14-30-19)23-32-20(22(33-23)26(27,28)29)15-36-11-12-38(4,5)6/h7-10,13-14H,11-12,15-16H2,1-6H3,(H,32,33)
InChIKeyHEYKZWKOZYBCDC-UHFFFAOYSA-N
MW550.65 g/mol
LogP5.99
Rot. Bonds11

About methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate

methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate (PubChem CID 67973260) has the molecular formula C26H33F3N4O4Si and a molecular weight of 550.65 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate
PubChem CID67973260
Molecular FormulaC26H33F3N4O4Si
Molecular Weight550.65 g/mol
Exact Mass550.22
IUPAC Namemethyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate
SMILESCOC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)c(COCC[Si](C)(C)C)[nH]3)cn2)cn1
InChIInChI=1S/C26H33F3N4O4Si/c1-25(2,24(34)35-3)16-37-21-10-8-17(13-31-21)19-9-7-18(14-30-19)23-32-20(22(33-23)26(27,28)29)15-36-11-12-38(4,5)6/h7-10,13-14H,11-12,15-16H2,1-6H3,(H,32,33)
InChIKeyHEYKZWKOZYBCDC-UHFFFAOYSA-N
XLogP5.99
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.65
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate (CID 67973260) is methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate is COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)c(COCC[Si](C)(C)C)[nH]3)cn2)cn1.
What is the InChIKey of methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate?
The InChIKey is HEYKZWKOZYBCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O4Si/c1-25(2,24(34)35-3)16-37-21-10-8-17(13-31-21)19-9-7-18(14-30-19)23-32-20(22(33-23)26(27,28)29)15-36-11-12-38(4,5)6/h7-10,13-14H,11-12,15-16H2,1-6H3,(H,32,33).
What are the key properties of methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate?
methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate has a molecular weight of 550.65 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate is sourced from PubChem (CID 67973260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).