2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate

C73H102F9N9O11Si2 — CID 159787879

IUPAC2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate
SMILESCC(C)(COC1CCC(c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)CC1)C(=O)O.CC(C)(COC1CCC(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1)C(=O)O.COC(=O)C(C)(C)COC1CCC(c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)CC1
InChIInChI=1S/C27H40F3N3O4Si.C26H38F3N3O4Si.C20H24F3N3O3/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;1-25(2,24(33)34)16-36-20-9-6-18(7-10-20)21-11-8-19(14-30-21)23-31-22(26(27,28)29)15-32(23)17-35-12-13-37(3,4)5;1-19(2,18(27)28)11-29-14-6-3-12(4-7-14)15-8-5-13(9-24-15)17-25-10-16(26-17)20(21,22)23/h9,12,15-16,19,21H,7-8,10-11,13-14,17-18H2,1-6H3;8,11,14-15,18,20H,6-7,9-10,12-13,16-17H2,1-5H3,(H,33,34);5,8-10,12,14H,3-4,6-7,11H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyNIEMMUILWBFAPN-UHFFFAOYSA-N
MW1508.82 g/mol
LogP17.59
Rot. Bonds28

About 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate

2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate (PubChem CID 159787879) has the molecular formula C73H102F9N9O11Si2 and a molecular weight of 1508.82 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate
PubChem CID159787879
Molecular FormulaC73H102F9N9O11Si2
Molecular Weight1508.82 g/mol
Exact Mass1507.71
IUPAC Name2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate
SMILESCC(C)(COC1CCC(c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)CC1)C(=O)O.CC(C)(COC1CCC(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1)C(=O)O.COC(=O)C(C)(C)COC1CCC(c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)CC1
InChIInChI=1S/C27H40F3N3O4Si.C26H38F3N3O4Si.C20H24F3N3O3/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;1-25(2,24(33)34)16-36-20-9-6-18(7-10-20)21-11-8-19(14-30-21)23-31-22(26(27,28)29)15-32(23)17-35-12-13-37(3,4)5;1-19(2,18(27)28)11-29-14-6-3-12(4-7-14)15-8-5-13(9-24-15)17-25-10-16(26-17)20(21,22)23/h9,12,15-16,19,21H,7-8,10-11,13-14,17-18H2,1-6H3;8,11,14-15,18,20H,6-7,9-10,12-13,16-17H2,1-5H3,(H,33,34);5,8-10,12,14H,3-4,6-7,11H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyNIEMMUILWBFAPN-UHFFFAOYSA-N
XLogP17.59
TPSA250.04 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001508.82
LogP ≤ 517.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate with MolForge

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Related Compounds

2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid
CID 118030538
tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
CID 176547408
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
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
tert-butyl 2,2-dimethyl-3-[2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate
CID 86698168
carbon dioxide;2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
CID 176547263
2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoic acid
CID 134524849
1-[(1S,3R)-3-[4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenoxy]cyclohexyl]propan-2-one
CID 162190634
2,2-dimethyl-3-[4-[6-[5-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-1H-imidazol-3-ium-2-yl]pyridazin-3-yl]phenoxy]propanoic acid;methyl 2,2-dimethyl-3-[4-[6-[5-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-1H-imidazol-3-ium-2-yl]pyridazin-3-yl]phenoxy]propanoate
CID 158996038
2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid
CID 72945047
trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
CID 123155962
1-[[4-[5-[1-(12,12-dimethyltridecoxymethyl)-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 151185691

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate?
The IUPAC name of 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate (CID 159787879) is 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate.
What is the SMILES notation for 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate?
The canonical SMILES for 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate is CC(C)(COC1CCC(c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)CC1)C(=O)O.CC(C)(COC1CCC(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1)C(=O)O.COC(=O)C(C)(C)COC1CCC(c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)CC1.
What is the InChIKey of 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate?
The InChIKey is NIEMMUILWBFAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40F3N3O4Si.C26H38F3N3O4Si.C20H24F3N3O3/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;1-25(2,24(33)34)16-36-20-9-6-18(7-10-20)21-11-8-19(14-30-21)23-31-22(26(27,28)29)15-32(23)17-35-12-13-37(3,4)5;1-19(2,18(27)28)11-29-14-6-3-12(4-7-14)15-8-5-13(9-24-15)17-25-10-16(26-17)20(21,22)23/h9,12,15-16,19,21H,7-8,10-11,13-14,17-18H2,1-6H3;8,11,14-15,18,20H,6-7,9-10,12-13,16-17H2,1-5H3,(H,33,34);5,8-10,12,14H,3-4,6-7,11H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate?
2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate has a molecular weight of 1508.82 g/mol, XLogP of 17.59, 28 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate is sourced from PubChem (CID 159787879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).