1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate

C55H64Cl2F6N6O8Si2 — CID 162187776

IUPAC1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(COc2cc(C)c(-c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)c(Cl)c3)cn2)CC1.Cc1cc(OCC2(C(=O)O)CC2)ncc1-c1ccc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)c(Cl)c1
InChIInChI=1S/C28H33ClF3N3O4Si.C27H31ClF3N3O4Si/c1-18-12-24(39-16-27(8-9-27)26(36)37-2)33-14-21(18)19-6-7-20(22(29)13-19)25-34-23(28(30,31)32)15-35(25)17-38-10-11-40(3,4)5;1-17-11-23(38-15-26(7-8-26)25(35)36)32-13-20(17)18-5-6-19(21(28)12-18)24-33-22(27(29,30)31)14-34(24)16-37-9-10-39(2,3)4/h6-7,12-15H,8-11,16-17H2,1-5H3;5-6,11-14H,7-10,15-16H2,1-4H3,(H,35,36)
InChIKeyZPWQKUIPQWZNND-UHFFFAOYSA-N
MW1178.22 g/mol
LogP14.39
Rot. Bonds22

About 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate

1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate (PubChem CID 162187776) has the molecular formula C55H64Cl2F6N6O8Si2 and a molecular weight of 1178.22 g/mol. Its IUPAC name is 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Name1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate
PubChem CID162187776
Molecular FormulaC55H64Cl2F6N6O8Si2
Molecular Weight1178.22 g/mol
Exact Mass1176.36
IUPAC Name1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(COc2cc(C)c(-c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)c(Cl)c3)cn2)CC1.Cc1cc(OCC2(C(=O)O)CC2)ncc1-c1ccc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)c(Cl)c1
InChIInChI=1S/C28H33ClF3N3O4Si.C27H31ClF3N3O4Si/c1-18-12-24(39-16-27(8-9-27)26(36)37-2)33-14-21(18)19-6-7-20(22(29)13-19)25-34-23(28(30,31)32)15-35(25)17-38-10-11-40(3,4)5;1-17-11-23(38-15-26(7-8-26)25(35)36)32-13-20(17)18-5-6-19(21(28)12-18)24-33-22(27(29,30)31)14-34(24)16-37-9-10-39(2,3)4/h6-7,12-15H,8-11,16-17H2,1-5H3;5-6,11-14H,7-10,15-16H2,1-4H3,(H,35,36)
InChIKeyZPWQKUIPQWZNND-UHFFFAOYSA-N
XLogP14.39
TPSA161.94 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001178.22
LogP ≤ 514.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

methyl 3-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoate
CID 67973607
1-[[4-methyl-5-[6-[1-(2-methylsulfanylethoxymethyl)-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
CID 148927638
methyl 3-[[5-[3-chloro-4-[1-[2-[dimethylamino(methyl)amino]ethoxymethyl]-4-(trifluoromethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoate
CID 150113872
ethyl 1-[[5-[5-chloro-6-[1-[2-[iodo(dimethyl)-λ4-sulfanyl]ethoxymethyl]-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate
CID 121354293
1-[[5-[3-chloro-4-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid
CID 123471292
2-[[2-(5-bromo-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;ethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate
CID 160797547
1-[[4-[5-[1-(12,12-dimethyltridecoxymethyl)-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 151185691
2-[[2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 71240810
methyl 3-[[5-[3-chloro-4-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoate
CID 123526232
[3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol
CID 169086392
tert-butyl 2,2-dimethyl-3-[2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate
CID 86698168
1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid
CID 118134495

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate?
The IUPAC name of 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate (CID 162187776) is 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate?
The canonical SMILES for 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate is COC(=O)C1(COc2cc(C)c(-c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)c(Cl)c3)cn2)CC1.Cc1cc(OCC2(C(=O)O)CC2)ncc1-c1ccc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)c(Cl)c1.
What is the InChIKey of 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate?
The InChIKey is ZPWQKUIPQWZNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClF3N3O4Si.C27H31ClF3N3O4Si/c1-18-12-24(39-16-27(8-9-27)26(36)37-2)33-14-21(18)19-6-7-20(22(29)13-19)25-34-23(28(30,31)32)15-35(25)17-38-10-11-40(3,4)5;1-17-11-23(38-15-26(7-8-26)25(35)36)32-13-20(17)18-5-6-19(21(28)12-18)24-33-22(27(29,30)31)14-34(24)16-37-9-10-39(2,3)4/h6-7,12-15H,8-11,16-17H2,1-5H3;5-6,11-14H,7-10,15-16H2,1-4H3,(H,35,36).
What are the key properties of 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate?
1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate has a molecular weight of 1178.22 g/mol, XLogP of 14.39, 22 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 162187776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).