2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate

C60H80BBrF6N6O10Si2 — CID 160991541

About 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate

2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate (PubChem CID 160991541) has the molecular formula C60H80BBrF6N6O10Si2 and a molecular weight of 1306.21 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate.

Molecular Properties

• Compound Name: 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate
• PubChem CID: 160991541
• Molecular Formula: C60H80BBrF6N6O10Si2
• Molecular Weight: 1306.21 g/mol
• Exact Mass: 1304.47
• IUPAC Name: 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate
• SMILES: COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cc2)cn1.COC(=O)C(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1
• InChI: InChI=1S/C27H34F3N3O4Si.C17H26BNO5.C16H20BrF3N2OSi/c1-26(2,25(34)35-3)17-37-23-12-11-21(15-31-23)19-7-9-20(10-8-19)24-32-22(27(28,29)30)16-33(24)18-36-13-14-38(4,5)6;1-15(2,14(20)21-7)11-22-13-9-8-12(10-19-13)18-23-16(3,4)17(5,6)24-18;1-24(2,3)9-8-23-11-22-10-14(16(18,19)20)21-15(22)12-4-6-13(17)7-5-12/h7-12,15-16H,13-14,17-18H2,1-6H3;8-10H,11H2,1-7H3;4-7,10H,8-9,11H2,1-3H3
• InChIKey: TURQKDRDONHKGE-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 169.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1306.21
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate?

The IUPAC name of 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate (CID 160991541) is 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate.

What is the SMILES notation for 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate?

The canonical SMILES for 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate is COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cc2)cn1.COC(=O)C(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1.

What is the InChIKey of 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate?

The InChIKey is TURQKDRDONHKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N3O4Si.C17H26BNO5.C16H20BrF3N2OSi/c1-26(2,25(34)35-3)17-37-23-12-11-21(15-31-23)19-7-9-20(10-8-19)24-32-22(27(28,29)30)16-33(24)18-36-13-14-38(4,5)6;1-15(2,14(20)21-7)11-22-13-9-8-12(10-19-13)18-23-16(3,4)17(5,6)24-18;1-24(2,3)9-8-23-11-22-10-14(16(18,19)20)21-15(22)12-4-6-13(17)7-5-12/h7-12,15-16H,13-14,17-18H2,1-6H3;8-10H,11H2,1-7H3;4-7,10H,8-9,11H2,1-3H3.

What are the key properties of 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate?

2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate has a molecular weight of 1306.21 g/mol, XLogP of 14.12, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoate is sourced from PubChem (CID 160991541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).