2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane

C67H90BBrCl2F6N6O10Si2 — CID 158913925

About 2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane

2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane (PubChem CID 158913925) has the molecular formula C67H90BBrCl2F6N6O10Si2 and a molecular weight of 1471.27 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane.

Molecular Properties

• Compound Name: 2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane
• PubChem CID: 158913925
• Molecular Formula: C67H90BBrCl2F6N6O10Si2
• Molecular Weight: 1471.27 g/mol
• Exact Mass: 1468.48
• IUPAC Name: 2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane
• SMILES: C.CCOC(=O)C1(COc2cc(C)c(-c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)c(Cl)c3)cn2)CCC1.CCOC(=O)C1(COc2cc(C)c(B3OC(C)(C)C(C)(C)O3)cn2)CCC1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1Cl
• InChI: InChI=1S/C30H37ClF3N3O4Si.C20H30BNO5.C16H19BrClF3N2OSi.CH4/c1-6-40-28(38)29(10-7-11-29)18-41-26-14-20(2)23(16-35-26)21-8-9-22(24(31)15-21)27-36-25(30(32,33)34)17-37(27)19-39-12-13-42(3,4)5;1-7-24-17(23)20(9-8-10-20)13-25-16-11-14(2)15(12-22-16)21-26-18(3,4)19(5,6)27-21;1-25(2,3)7-6-24-10-23-9-14(16(19,20)21)22-15(23)12-5-4-11(17)8-13(12)18;/h8-9,14-17H,6-7,10-13,18-19H2,1-5H3;11-12H,7-10,13H2,1-6H3;4-5,8-9H,6-7,10H2,1-3H3;1H4
• InChIKey: JGZMMCWWUWDNKS-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 169.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1471.27
LogP ≤ 5	17.75
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-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane?

The IUPAC name of 2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane (CID 158913925) is 2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane.

What is the SMILES notation for 2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane?

The canonical SMILES for 2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane is C.CCOC(=O)C1(COc2cc(C)c(-c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)c(Cl)c3)cn2)CCC1.CCOC(=O)C1(COc2cc(C)c(B3OC(C)(C)C(C)(C)O3)cn2)CCC1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1Cl.

What is the InChIKey of 2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane?

The InChIKey is JGZMMCWWUWDNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37ClF3N3O4Si.C20H30BNO5.C16H19BrClF3N2OSi.CH4/c1-6-40-28(38)29(10-7-11-29)18-41-26-14-20(2)23(16-35-26)21-8-9-22(24(31)15-21)27-36-25(30(32,33)34)17-37(27)19-39-12-13-42(3,4)5;1-7-24-17(23)20(9-8-10-20)13-25-16-11-14(2)15(12-22-16)21-26-18(3,4)19(5,6)27-21;1-25(2,3)7-6-24-10-23-9-14(16(19,20)21)22-15(23)12-5-4-11(17)8-13(12)18;/h8-9,14-17H,6-7,10-13,18-19H2,1-5H3;11-12H,7-10,13H2,1-6H3;4-5,8-9H,6-7,10H2,1-3H3;1H4.

What are the key properties of 2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane?

2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane has a molecular weight of 1471.27 g/mol, XLogP of 17.75, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(4-bromo-2-chlorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;methane is sourced from PubChem (CID 158913925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).