2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid

C94H123BrF9N9O12Si3 — CID 158750852

IUPAC2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid
SMILESCCOC(=O)c1cccc(OCC2CCN(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cc3)CC2)c1C.CCOC(=O)c1cccc(OCC2CCNCC2)c1C.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1.Cc1c(OCC2CCN(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cc3)CC2)cccc1C(=O)O
InChIInChI=1S/C32H42F3N3O4Si.C30H38F3N3O4Si.C16H20BrF3N2OSi.C16H23NO3/c1-6-41-31(39)27-8-7-9-28(23(27)2)42-21-24-14-16-37(17-15-24)26-12-10-25(11-13-26)30-36-29(32(33,34)35)20-38(30)22-40-18-19-43(3,4)5;1-21-25(29(37)38)6-5-7-26(21)40-19-22-12-14-35(15-13-22)24-10-8-23(9-11-24)28-34-27(30(31,32)33)18-36(28)20-39-16-17-41(2,3)4;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;1-3-19-16(18)14-5-4-6-15(12(14)2)20-11-13-7-9-17-10-8-13/h7-13,20,24H,6,14-19,21-22H2,1-5H3;5-11,18,22H,12-17,19-20H2,1-4H3,(H,37,38);4-7,10H,8-9,11H2,1-3H3;4-6,13,17H,3,7-11H2,1-2H3
InChIKeyINLPYOLQHMHLHU-UHFFFAOYSA-N
MW1906.21 g/mol
LogP23.04
Rot. Bonds34

About 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid

2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid (PubChem CID 158750852) has the molecular formula C94H123BrF9N9O12Si3 and a molecular weight of 1906.21 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid
PubChem CID158750852
Molecular FormulaC94H123BrF9N9O12Si3
Molecular Weight1906.21 g/mol
Exact Mass1903.76
IUPAC Name2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid
SMILESCCOC(=O)c1cccc(OCC2CCN(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cc3)CC2)c1C.CCOC(=O)c1cccc(OCC2CCNCC2)c1C.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1.Cc1c(OCC2CCN(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cc3)CC2)cccc1C(=O)O
InChIInChI=1S/C32H42F3N3O4Si.C30H38F3N3O4Si.C16H20BrF3N2OSi.C16H23NO3/c1-6-41-31(39)27-8-7-9-28(23(27)2)42-21-24-14-16-37(17-15-24)26-12-10-25(11-13-26)30-36-29(32(33,34)35)20-38(30)22-40-18-19-43(3,4)5;1-21-25(29(37)38)6-5-7-26(21)40-19-22-12-14-35(15-13-22)24-10-8-23(9-11-24)28-34-27(30(31,32)33)18-36(28)20-39-16-17-41(2,3)4;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;1-3-19-16(18)14-5-4-6-15(12(14)2)20-11-13-7-9-17-10-8-13/h7-13,20,24H,6,14-19,21-22H2,1-5H3;5-11,18,22H,12-17,19-20H2,1-4H3,(H,37,38);4-7,10H,8-9,11H2,1-3H3;4-6,13,17H,3,7-11H2,1-2H3
InChIKeyINLPYOLQHMHLHU-UHFFFAOYSA-N
XLogP23.04
TPSA217.25 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001906.21
LogP ≤ 523.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid with MolForge

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Related Compounds

2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid
CID 161080907
2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(3-hydroxy-4-methylphenyl)ethanone;4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid;4-methyl-3-[[1-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid;1-[4-methyl-3-[[1-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]phenyl]ethanone;piperidin-4-ylmethanol;[1-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methanol
CID 161155867

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid?
The IUPAC name of 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid (CID 158750852) is 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid.
What is the SMILES notation for 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid?
The canonical SMILES for 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid is CCOC(=O)c1cccc(OCC2CCN(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cc3)CC2)c1C.CCOC(=O)c1cccc(OCC2CCNCC2)c1C.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1.Cc1c(OCC2CCN(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cc3)CC2)cccc1C(=O)O.
What is the InChIKey of 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid?
The InChIKey is INLPYOLQHMHLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42F3N3O4Si.C30H38F3N3O4Si.C16H20BrF3N2OSi.C16H23NO3/c1-6-41-31(39)27-8-7-9-28(23(27)2)42-21-24-14-16-37(17-15-24)26-12-10-25(11-13-26)30-36-29(32(33,34)35)20-38(30)22-40-18-19-43(3,4)5;1-21-25(29(37)38)6-5-7-26(21)40-19-22-12-14-35(15-13-22)24-10-8-23(9-11-24)28-34-27(30(31,32)33)18-36(28)20-39-16-17-41(2,3)4;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;1-3-19-16(18)14-5-4-6-15(12(14)2)20-11-13-7-9-17-10-8-13/h7-13,20,24H,6,14-19,21-22H2,1-5H3;5-11,18,22H,12-17,19-20H2,1-4H3,(H,37,38);4-7,10H,8-9,11H2,1-3H3;4-6,13,17H,3,7-11H2,1-2H3.
What are the key properties of 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid?
2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid has a molecular weight of 1906.21 g/mol, XLogP of 23.04, 34 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-methyl-3-(piperidin-4-ylmethoxy)benzoate;ethyl 2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoate;2-methyl-3-[[1-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid is sourced from PubChem (CID 158750852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).