benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol

C62H68F6N6O8Si — CID 160920976

About benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol

benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (PubChem CID 160920976) has the molecular formula C62H68F6N6O8Si and a molecular weight of 1167.33 g/mol. Its IUPAC name is benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
• PubChem CID: 160920976
• Molecular Formula: C62H68F6N6O8Si
• Molecular Weight: 1167.33 g/mol
• Exact Mass: 1166.48
• IUPAC Name: benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
• SMILES: CC(C)(CCO)C(=O)OCc1ccccc1.CC(C)(CCOc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1)C(=O)OCc1ccccc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(O)cc2)nc1
• InChI: InChI=1S/C28H26F3N3O3.C21H24F3N3O2Si.C13H18O3/c1-27(2,26(35)37-18-19-6-4-3-5-7-19)14-15-36-22-11-8-20(9-12-22)23-13-10-21(16-32-23)25-33-17-24(34-25)28(29,30)31;1-30(2,3)11-10-29-14-27-13-19(21(22,23)24)26-20(27)16-6-9-18(25-12-16)15-4-7-17(28)8-5-15;1-13(2,8-9-14)12(15)16-10-11-6-4-3-5-7-11/h3-13,16-17H,14-15,18H2,1-2H3,(H,33,34);4-9,12-13,28H,10-11,14H2,1-3H3;3-7,14H,8-10H2,1-2H3
• InChIKey: SSAGDSMHSICYML-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 183.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1167.33
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?

The IUPAC name of benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (CID 160920976) is benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.

What is the SMILES notation for benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?

The canonical SMILES for benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is CC(C)(CCO)C(=O)OCc1ccccc1.CC(C)(CCOc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1)C(=O)OCc1ccccc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(O)cc2)nc1.

What is the InChIKey of benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?

The InChIKey is SSAGDSMHSICYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O3.C21H24F3N3O2Si.C13H18O3/c1-27(2,26(35)37-18-19-6-4-3-5-7-19)14-15-36-22-11-8-20(9-12-22)23-13-10-21(16-32-23)25-33-17-24(34-25)28(29,30)31;1-30(2,3)11-10-29-14-27-13-19(21(22,23)24)26-20(27)16-6-9-18(25-12-16)15-4-7-17(28)8-5-15;1-13(2,8-9-14)12(15)16-10-11-6-4-3-5-7-11/h3-13,16-17H,14-15,18H2,1-2H3,(H,33,34);4-9,12-13,28H,10-11,14H2,1-3H3;3-7,14H,8-10H2,1-2H3.

What are the key properties of benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?

benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol has a molecular weight of 1167.33 g/mol, XLogP of 14.48, 21 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2,2-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]butanoate;benzyl 4-hydroxy-2,2-dimethylbutanoate;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 160920976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).