4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol

C120H130F12N12O12Si4+2 — CID 158772899

IUPAC4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESCOC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)n3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)c(C4=CC=[C+]C=C4)n3COCC[Si](C)(C)C)cn2)cc1.C[Si](C)(C)CCOCn1c(-c2ccc(-c3ccc(O)cc3)nc2)nc(-c2ccccc2)c1C(F)(F)F.C[Si](C)(C)CCOCn1c(-c2ccc(-c3ccc(O)cc3)nc2)nc(C(F)(F)F)c1C1=CC=[C+]C=C1
InChIInChI=1S/C33H37F3N3O4Si.C33H38F3N3O4Si.C27H26F3N3O2Si.C27H28F3N3O2Si/c1-32(2,31(40)41-3)21-43-26-15-12-23(13-16-26)27-17-14-25(20-37-27)30-38-29(33(34,35)36)28(24-10-8-7-9-11-24)39(30)22-42-18-19-44(4,5)6;1-32(2,31(40)41-3)21-43-26-15-12-23(13-16-26)27-17-14-25(20-37-27)30-38-28(24-10-8-7-9-11-24)29(33(34,35)36)39(30)22-42-18-19-44(4,5)6;1-36(2,3)16-15-35-18-33-24(20-7-5-4-6-8-20)25(27(28,29)30)32-26(33)21-11-14-23(31-17-21)19-9-12-22(34)13-10-19;1-36(2,3)16-15-35-18-33-25(27(28,29)30)24(20-7-5-4-6-8-20)32-26(33)21-11-14-23(31-17-21)19-9-12-22(34)13-10-19/h8-17,20H,18-19,21-22H2,1-6H3;7-17,20H,18-19,21-22H2,1-6H3;5-14,17H,15-16,18H2,1-3H3;4-14,17,34H,15-16,18H2,1-3H3/q+1;;;/p+1
InChIKeyIQCGGAQFDAORTF-UHFFFAOYSA-O
MW2272.75 g/mol
LogP30.30
Rot. Bonds40

About 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol

4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (PubChem CID 158772899) has the molecular formula C120H130F12N12O12Si4+2 and a molecular weight of 2272.75 g/mol. Its IUPAC name is 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
PubChem CID158772899
Molecular FormulaC120H130F12N12O12Si4+2
Molecular Weight2272.75 g/mol
Exact Mass2270.88
IUPAC Name4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESCOC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)n3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)c(C4=CC=[C+]C=C4)n3COCC[Si](C)(C)C)cn2)cc1.C[Si](C)(C)CCOCn1c(-c2ccc(-c3ccc(O)cc3)nc2)nc(-c2ccccc2)c1C(F)(F)F.C[Si](C)(C)CCOCn1c(-c2ccc(-c3ccc(O)cc3)nc2)nc(C(F)(F)F)c1C1=CC=[C+]C=C1
InChIInChI=1S/C33H37F3N3O4Si.C33H38F3N3O4Si.C27H26F3N3O2Si.C27H28F3N3O2Si/c1-32(2,31(40)41-3)21-43-26-15-12-23(13-16-26)27-17-14-25(20-37-27)30-38-29(33(34,35)36)28(24-10-8-7-9-11-24)39(30)22-42-18-19-44(4,5)6;1-32(2,31(40)41-3)21-43-26-15-12-23(13-16-26)27-17-14-25(20-37-27)30-38-28(24-10-8-7-9-11-24)29(33(34,35)36)39(30)22-42-18-19-44(4,5)6;1-36(2,3)16-15-35-18-33-24(20-7-5-4-6-8-20)25(27(28,29)30)32-26(33)21-11-14-23(31-17-21)19-9-12-22(34)13-10-19;1-36(2,3)16-15-35-18-33-25(27(28,29)30)24(20-7-5-4-6-8-20)32-26(33)21-11-14-23(31-17-21)19-9-12-22(34)13-10-19/h8-17,20H,18-19,21-22H2,1-6H3;7-17,20H,18-19,21-22H2,1-6H3;5-14,17H,15-16,18H2,1-3H3;4-14,17,34H,15-16,18H2,1-3H3/q+1;;;/p+1
InChIKeyIQCGGAQFDAORTF-UHFFFAOYSA-O
XLogP30.30
TPSA271.28 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds40
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002272.75
LogP ≤ 530.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

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 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The IUPAC name of 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (CID 158772899) is 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The canonical SMILES for 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)n3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)c(C4=CC=[C+]C=C4)n3COCC[Si](C)(C)C)cn2)cc1.C[Si](C)(C)CCOCn1c(-c2ccc(-c3ccc(O)cc3)nc2)nc(-c2ccccc2)c1C(F)(F)F.C[Si](C)(C)CCOCn1c(-c2ccc(-c3ccc(O)cc3)nc2)nc(C(F)(F)F)c1C1=CC=[C+]C=C1.
What is the InChIKey of 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The InChIKey is IQCGGAQFDAORTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C33H37F3N3O4Si.C33H38F3N3O4Si.C27H26F3N3O2Si.C27H28F3N3O2Si/c1-32(2,31(40)41-3)21-43-26-15-12-23(13-16-26)27-17-14-25(20-37-27)30-38-29(33(34,35)36)28(24-10-8-7-9-11-24)39(30)22-42-18-19-44(4,5)6;1-32(2,31(40)41-3)21-43-26-15-12-23(13-16-26)27-17-14-25(20-37-27)30-38-28(24-10-8-7-9-11-24)29(33(34,35)36)39(30)22-42-18-19-44(4,5)6;1-36(2,3)16-15-35-18-33-24(20-7-5-4-6-8-20)25(27(28,29)30)32-26(33)21-11-14-23(31-17-21)19-9-12-22(34)13-10-19;1-36(2,3)16-15-35-18-33-25(27(28,29)30)24(20-7-5-4-6-8-20)32-26(33)21-11-14-23(31-17-21)19-9-12-22(34)13-10-19/h8-17,20H,18-19,21-22H2,1-6H3;7-17,20H,18-19,21-22H2,1-6H3;5-14,17H,15-16,18H2,1-3H3;4-14,17,34H,15-16,18H2,1-3H3/q+1;;;/p+1.
What are the key properties of 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol has a molecular weight of 2272.75 g/mol, XLogP of 30.30, 40 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;methyl 3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 158772899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).