3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid

C90H93F9N9O11Si2+ — CID 158306362

IUPAC3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid
SMILESCC(C)(COc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)[nH]3)cn2)cc1)C(=O)O.CC(C)(COc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)n3COCC[Si](C)(C)C)cn2)cc1)C(=O)O.CC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)c(C4=CC=[C+]C=C4)n3COCC[Si](C)(C)C)cn2)cc1)C(=O)O
InChIInChI=1S/C32H34F3N3O4Si.C32H36F3N3O4Si.C26H22F3N3O3/c1-31(2,30(39)40)20-42-25-14-11-22(12-15-25)26-16-13-24(19-36-26)29-37-28(32(33,34)35)27(23-9-7-6-8-10-23)38(29)21-41-17-18-43(3,4)5;1-31(2,30(39)40)20-42-25-14-11-22(12-15-25)26-16-13-24(19-36-26)29-37-27(23-9-7-6-8-10-23)28(32(33,34)35)38(29)21-41-17-18-43(3,4)5;1-25(2,24(33)34)15-35-19-11-8-16(9-12-19)20-13-10-18(14-30-20)23-31-21(17-6-4-3-5-7-17)22(32-23)26(27,28)29/h7-16,19H,17-18,20-21H2,1-5H3;6-16,19H,17-18,20-21H2,1-5H3,(H,39,40);3-14H,15H2,1-2H3,(H,31,32)(H,33,34)/p+1
InChIKeyGNCYPSGDGMXHSS-UHFFFAOYSA-O
MW1703.94 g/mol
LogP22.16
Rot. Bonds31

About 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid

3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid (PubChem CID 158306362) has the molecular formula C90H93F9N9O11Si2+ and a molecular weight of 1703.94 g/mol. Its IUPAC name is 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid
PubChem CID158306362
Molecular FormulaC90H93F9N9O11Si2+
Molecular Weight1703.94 g/mol
Exact Mass1702.64
IUPAC Name3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid
SMILESCC(C)(COc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)[nH]3)cn2)cc1)C(=O)O.CC(C)(COc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)n3COCC[Si](C)(C)C)cn2)cc1)C(=O)O.CC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)c(C4=CC=[C+]C=C4)n3COCC[Si](C)(C)C)cn2)cc1)C(=O)O
InChIInChI=1S/C32H34F3N3O4Si.C32H36F3N3O4Si.C26H22F3N3O3/c1-31(2,30(39)40)20-42-25-14-11-22(12-15-25)26-16-13-24(19-36-26)29-37-28(32(33,34)35)27(23-9-7-6-8-10-23)38(29)21-41-17-18-43(3,4)5;1-31(2,30(39)40)20-42-25-14-11-22(12-15-25)26-16-13-24(19-36-26)29-37-27(23-9-7-6-8-10-23)28(32(33,34)35)38(29)21-41-17-18-43(3,4)5;1-25(2,24(33)34)15-35-19-11-8-16(9-12-19)20-13-10-18(14-30-20)23-31-21(17-6-4-3-5-7-17)22(32-23)26(27,28)29/h7-16,19H,17-18,20-21H2,1-5H3;6-16,19H,17-18,20-21H2,1-5H3,(H,39,40);3-14H,15H2,1-2H3,(H,31,32)(H,33,34)/p+1
InChIKeyGNCYPSGDGMXHSS-UHFFFAOYSA-O
XLogP22.16
TPSA261.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds31
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001703.94
LogP ≤ 522.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid with MolForge

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Related Compounds

3-[4-[5-[5-(4,4-difluorocyclohexyl)-1H-imidazol-2-yl]pyridin-2-yl]phenoxy]-2,2-dimethylpropanoic acid
CID 89831300
2,2-dimethyl-3-[4-[5-[5-(1,1,2,2,2-pentafluoroethyl)-1H-imidazol-2-yl]pyridin-2-yl]phenoxy]propanoic acid
CID 89831351
US10308636, Example 1-28
CID 118134470
US10308636, Example 1-31
CID 118134475
Methyl 3-[2-fluoro-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-2-yl]phenoxy]-2,2-dimethylpropanoate
CID 67973296
2,2-Dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoic acid
CID 67973418
2-ethyl-2-[[4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]butanoic acid
CID 67973463
2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid
CID 67973580
2,2-dimethyl-3-[[5-[5-[5-[2,2,2-trifluoro-1-(2-trimethylsilylethoxy)ethyl]-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid
CID 67973581
methyl 2,2-dimethyl-3-(4-{5-[4-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazol-2-yl]pyridin-2-yl}phenoxy)propanoate
CID 67975224
2,2-Dimethyl-3-[4-[4-methyl-5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-2-yl]phenoxy]propanoic acid
CID 67975229
1-[[4-[5-[4-(Trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-2-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 89823549

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid?
The IUPAC name of 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid (CID 158306362) is 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid.
What is the SMILES notation for 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid?
The canonical SMILES for 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid is CC(C)(COc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)[nH]3)cn2)cc1)C(=O)O.CC(C)(COc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)n3COCC[Si](C)(C)C)cn2)cc1)C(=O)O.CC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)c(C4=CC=[C+]C=C4)n3COCC[Si](C)(C)C)cn2)cc1)C(=O)O.
What is the InChIKey of 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid?
The InChIKey is GNCYPSGDGMXHSS-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H34F3N3O4Si.C32H36F3N3O4Si.C26H22F3N3O3/c1-31(2,30(39)40)20-42-25-14-11-22(12-15-25)26-16-13-24(19-36-26)29-37-28(32(33,34)35)27(23-9-7-6-8-10-23)38(29)21-41-17-18-43(3,4)5;1-31(2,30(39)40)20-42-25-14-11-22(12-15-25)26-16-13-24(19-36-26)29-37-27(23-9-7-6-8-10-23)28(32(33,34)35)38(29)21-41-17-18-43(3,4)5;1-25(2,24(33)34)15-35-19-11-8-16(9-12-19)20-13-10-18(14-30-20)23-31-21(17-6-4-3-5-7-17)22(32-23)26(27,28)29/h7-16,19H,17-18,20-21H2,1-5H3;6-16,19H,17-18,20-21H2,1-5H3,(H,39,40);3-14H,15H2,1-2H3,(H,31,32)(H,33,34)/p+1.
What are the key properties of 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid?
3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid has a molecular weight of 1703.94 g/mol, XLogP of 22.16, 31 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid is sourced from PubChem (CID 158306362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).