methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate

C27H35F3N4O4Si — CID 123872148

About methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate

methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate (PubChem CID 123872148) has the molecular formula C27H35F3N4O4Si and a molecular weight of 564.68 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate.

Molecular Properties

• Compound Name: methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
• PubChem CID: 123872148
• Molecular Formula: C27H35F3N4O4Si
• Molecular Weight: 564.68 g/mol
• Exact Mass: 564.24
• IUPAC Name: methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
• SMILES: COC(=O)C(C)(C)COc1cc(C)c(-c2ccc(-c3nc(C(F)(F)F)c(COCC[Si](C)(C)C)[nH]3)nc2)cn1
• InChI: InChI=1S/C27H35F3N4O4Si/c1-17-12-22(38-16-26(2,3)25(35)36-4)32-14-19(17)18-8-9-20(31-13-18)24-33-21(23(34-24)27(28,29)30)15-37-10-11-39(5,6)7/h8-9,12-14H,10-11,15-16H2,1-7H3,(H,33,34)
• InChIKey: TUBDBROAOOWANK-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 99.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.68
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

The IUPAC name of methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate (CID 123872148) is methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate.

What is the SMILES notation for methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

The canonical SMILES for methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate is COC(=O)C(C)(C)COc1cc(C)c(-c2ccc(-c3nc(C(F)(F)F)c(COCC[Si](C)(C)C)[nH]3)nc2)cn1.

What is the InChIKey of methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

The InChIKey is TUBDBROAOOWANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F3N4O4Si/c1-17-12-22(38-16-26(2,3)25(35)36-4)32-14-19(17)18-8-9-20(31-13-18)24-33-21(23(34-24)27(28,29)30)15-37-10-11-39(5,6)7/h8-9,12-14H,10-11,15-16H2,1-7H3,(H,33,34).

What are the key properties of methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate has a molecular weight of 564.68 g/mol, XLogP of 6.29, 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-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate is sourced from PubChem (CID 123872148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).