2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate

C60H82BBrF6N8O10Si2 — CID 158627688

About 2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate

2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate (PubChem CID 158627688) has the molecular formula C60H82BBrF6N8O10Si2 and a molecular weight of 1336.24 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate.

Molecular Properties

• Compound Name: 2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
• PubChem CID: 158627688
• Molecular Formula: C60H82BBrF6N8O10Si2
• Molecular Weight: 1336.24 g/mol
• Exact Mass: 1334.49
• IUPAC Name: 2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
• SMILES: COC(=O)C(C)(C)COc1cc(C)c(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)nc2)cn1.COC(=O)C(C)(C)COc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cn1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)cn1
• InChI: InChI=1S/C27H35F3N4O4Si.C18H28BNO5.C15H19BrF3N3OSi/c1-18-12-23(38-16-26(2,3)25(35)36-4)32-14-20(18)19-8-9-21(31-13-19)24-33-22(27(28,29)30)15-34(24)17-37-10-11-39(5,6)7;1-12-9-14(23-11-16(2,3)15(21)22-8)20-10-13(12)19-24-17(4,5)18(6,7)25-19;1-24(2,3)7-6-23-10-22-9-13(15(17,18)19)21-14(22)12-5-4-11(16)8-20-12/h8-9,12-15H,10-11,16-17H2,1-7H3;9-10H,11H2,1-8H3;4-5,8-9H,6-7,10H2,1-3H3
• InChIKey: HYUIRJYNCJQNRG-UHFFFAOYSA-N
• XLogP: 13.53
• TPSA: 195.18 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1336.24
LogP ≤ 5	13.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

The IUPAC name of 2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate (CID 158627688) is 2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate.

What is the SMILES notation for 2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

The canonical SMILES for 2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate is COC(=O)C(C)(C)COc1cc(C)c(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)nc2)cn1.COC(=O)C(C)(C)COc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cn1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)cn1.

What is the InChIKey of 2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

The InChIKey is HYUIRJYNCJQNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F3N4O4Si.C18H28BNO5.C15H19BrF3N3OSi/c1-18-12-23(38-16-26(2,3)25(35)36-4)32-14-20(18)19-8-9-21(31-13-19)24-33-22(27(28,29)30)15-34(24)17-37-10-11-39(5,6)7;1-12-9-14(23-11-16(2,3)15(21)22-8)20-10-13(12)19-24-17(4,5)18(6,7)25-19;1-24(2,3)7-6-23-10-22-9-13(15(17,18)19)21-14(22)12-5-4-11(16)8-20-12/h8-9,12-15H,10-11,16-17H2,1-7H3;9-10H,11H2,1-8H3;4-5,8-9H,6-7,10H2,1-3H3.

What are the key properties of 2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate has a molecular weight of 1336.24 g/mol, XLogP of 13.53, 22 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate is sourced from PubChem (CID 158627688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).