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

C102H120BBrF9N13O16Si2 — CID 161007384

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

2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate (PubChem CID 161007384) has the molecular formula C102H120BBrF9N13O16Si2 and a molecular weight of 2102.03 g/mol. Its IUPAC name is 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate.

Molecular Properties

• Compound Name: 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate
• PubChem CID: 161007384
• Molecular Formula: C102H120BBrF9N13O16Si2
• Molecular Weight: 2102.03 g/mol
• Exact Mass: 2099.76
• IUPAC Name: 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate
• SMILES: COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(C#N)[nH]3)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1.COC(=O)C(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)nc1
• InChI: InChI=1S/C27H34F3N3O4Si.C21H20F3N3O3.C21H20N4O3.C18H27BO5.C15H19BrF3N3OSi/c1-26(2,25(34)35-3)17-37-21-10-7-19(8-11-21)22-12-9-20(15-31-22)24-32-23(27(28,29)30)16-33(24)18-36-13-14-38(4,5)6;1-20(2,19(28)29-3)12-30-15-7-4-13(5-8-15)16-9-6-14(10-25-16)18-26-11-17(27-18)21(22,23)24;1-21(2,20(26)27-3)13-28-17-7-4-14(5-8-17)18-9-6-15(11-23-18)19-24-12-16(10-22)25-19;1-16(2,15(20)21-7)12-22-14-10-8-13(9-11-14)19-23-17(3,4)18(5,6)24-19;1-24(2,3)7-6-23-10-22-9-12(15(17,18)19)21-14(22)11-4-5-13(16)20-8-11/h7-12,15-16H,13-14,17-18H2,1-6H3;4-11H,12H2,1-3H3,(H,26,27);4-9,11-12H,13H2,1-3H3,(H,24,25);8-11H,12H2,1-7H3;4-5,8-9H,6-7,10H2,1-3H3
• InChIKey: TWRKBYBLCUAPAW-UHFFFAOYSA-N
• XLogP: 22.45
• TPSA: 347.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 34
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2102.03
LogP ≤ 5	22.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate?

The IUPAC name of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate (CID 161007384) is 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate.

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

The canonical SMILES for 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate is COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(C#N)[nH]3)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1.COC(=O)C(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)nc1.

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

The InChIKey is TWRKBYBLCUAPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N3O4Si.C21H20F3N3O3.C21H20N4O3.C18H27BO5.C15H19BrF3N3OSi/c1-26(2,25(34)35-3)17-37-21-10-7-19(8-11-21)22-12-9-20(15-31-22)24-32-23(27(28,29)30)16-33(24)18-36-13-14-38(4,5)6;1-20(2,19(28)29-3)12-30-15-7-4-13(5-8-15)16-9-6-14(10-25-16)18-26-11-17(27-18)21(22,23)24;1-21(2,20(26)27-3)13-28-17-7-4-14(5-8-17)18-9-6-15(11-23-18)19-24-12-16(10-22)25-19;1-16(2,15(20)21-7)12-22-14-10-8-13(9-11-14)19-23-17(3,4)18(5,6)24-19;1-24(2,3)7-6-23-10-22-9-12(15(17,18)19)21-14(22)11-4-5-13(16)20-8-11/h7-12,15-16H,13-14,17-18H2,1-6H3;4-11H,12H2,1-3H3,(H,26,27);4-9,11-12H,13H2,1-3H3,(H,24,25);8-11H,12H2,1-7H3;4-5,8-9H,6-7,10H2,1-3H3.

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

2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate has a molecular weight of 2102.03 g/mol, XLogP of 22.45, 34 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate is sourced from PubChem (CID 161007384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).