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

C88H109BrF9N9O11Si2 — CID 161080907

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-[5-(trifluoromethyl)-1H-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(-c4ncc(C(F)(F)F)[nH]4)cc3)CC2)cccc1C(=O)O
InChIInChI=1S/C32H42F3N3O4Si.C24H24F3N3O3.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;1-15-19(23(31)32)3-2-4-20(15)33-14-16-9-11-30(12-10-16)18-7-5-17(6-8-18)22-28-13-21(29-22)24(25,26)27;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;2-8,13,16H,9-12,14H2,1H3,(H,28,29)(H,31,32);4-7,10H,8-9,11H2,1-3H3;4-6,13,17H,3,7-11H2,1-2H3
InChIKeyUFWZMRXVEAKKQF-UHFFFAOYSA-N
MW1775.95 g/mol
LogP21.25
Rot. Bonds29

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-[5-(trifluoromethyl)-1H-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-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid (PubChem CID 161080907) has the molecular formula C88H109BrF9N9O11Si2 and a molecular weight of 1775.95 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-[5-(trifluoromethyl)-1H-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-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid
PubChem CID161080907
Molecular FormulaC88H109BrF9N9O11Si2
Molecular Weight1775.95 g/mol
Exact Mass1773.68
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-[5-(trifluoromethyl)-1H-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(-c4ncc(C(F)(F)F)[nH]4)cc3)CC2)cccc1C(=O)O
InChIInChI=1S/C32H42F3N3O4Si.C24H24F3N3O3.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;1-15-19(23(31)32)3-2-4-20(15)33-14-16-9-11-30(12-10-16)18-7-5-17(6-8-18)22-28-13-21(29-22)24(25,26)27;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;2-8,13,16H,9-12,14H2,1H3,(H,28,29)(H,31,32);4-7,10H,8-9,11H2,1-3H3;4-6,13,17H,3,7-11H2,1-2H3
InChIKeyUFWZMRXVEAKKQF-UHFFFAOYSA-N
XLogP21.25
TPSA218.88 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001775.95
LogP ≤ 521.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

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-[5-(trifluoromethyl)-1H-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-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid
CID 158750852
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-[5-(trifluoromethyl)-1H-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-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid (CID 161080907) 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-[5-(trifluoromethyl)-1H-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-[5-(trifluoromethyl)-1H-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-[5-(trifluoromethyl)-1H-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(-c4ncc(C(F)(F)F)[nH]4)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-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid?
The InChIKey is UFWZMRXVEAKKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42F3N3O4Si.C24H24F3N3O3.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;1-15-19(23(31)32)3-2-4-20(15)33-14-16-9-11-30(12-10-16)18-7-5-17(6-8-18)22-28-13-21(29-22)24(25,26)27;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;2-8,13,16H,9-12,14H2,1H3,(H,28,29)(H,31,32);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-[5-(trifluoromethyl)-1H-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-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid has a molecular weight of 1775.95 g/mol, XLogP of 21.25, 29 rotatable bonds, 3 hydrogen bond donors, and 18 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-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]piperidin-4-yl]methoxy]benzoic acid is sourced from PubChem (CID 161080907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).