2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol

C104H129N9O15Si3 — CID 157269970

IUPAC2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESCOC(=O)C(C)(C)CO.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(COCc4ccccc4)cn3COCC[Si](C)(C)C)cn2)cc1.COc1ccc(COc2ccc(-c3ccc(-c4nc(COCc5ccccc5)cn4COCC[Si](C)(C)C)cn3)cc2)cc1.C[Si](C)(C)CCOCn1cc(COCc2ccccc2)nc1-c1ccc(-c2ccc(O)cc2)nc1
InChIInChI=1S/C36H41N3O4Si.C34H43N3O5Si.C28H33N3O3Si.C6H12O3/c1-40-33-15-10-29(11-16-33)25-43-34-17-12-30(13-18-34)35-19-14-31(22-37-35)36-38-32(26-42-24-28-8-6-5-7-9-28)23-39(36)27-41-20-21-44(2,3)4;1-34(2,33(38)39-3)24-42-30-15-12-27(13-16-30)31-17-14-28(20-35-31)32-36-29(23-41-22-26-10-8-7-9-11-26)21-37(32)25-40-18-19-43(4,5)6;1-35(2,3)16-15-33-21-31-18-25(20-34-19-22-7-5-4-6-8-22)30-28(31)24-11-14-27(29-17-24)23-9-12-26(32)13-10-23;1-6(2,4-7)5(8)9-3/h5-19,22-23H,20-21,24-27H2,1-4H3;7-17,20-21H,18-19,22-25H2,1-6H3;4-14,17-18,32H,15-16,19-21H2,1-3H3;7H,4H2,1-3H3
InChIKeyAYKPQUXFOZVVDC-UHFFFAOYSA-N
MW1829.48 g/mol
LogP21.97
Rot. Bonds43

About 2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol

2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (PubChem CID 157269970) has the molecular formula C104H129N9O15Si3 and a molecular weight of 1829.48 g/mol. Its IUPAC name is 2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
PubChem CID157269970
Molecular FormulaC104H129N9O15Si3
Molecular Weight1829.48 g/mol
Exact Mass1827.89
IUPAC Name2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESCOC(=O)C(C)(C)CO.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(COCc4ccccc4)cn3COCC[Si](C)(C)C)cn2)cc1.COc1ccc(COc2ccc(-c3ccc(-c4nc(COCc5ccccc5)cn4COCC[Si](C)(C)C)cn3)cc2)cc1.C[Si](C)(C)CCOCn1cc(COCc2ccccc2)nc1-c1ccc(-c2ccc(O)cc2)nc1
InChIInChI=1S/C36H41N3O4Si.C34H43N3O5Si.C28H33N3O3Si.C6H12O3/c1-40-33-15-10-29(11-16-33)25-43-34-17-12-30(13-18-34)35-19-14-31(22-37-35)36-38-32(26-42-24-28-8-6-5-7-9-28)23-39(36)27-41-20-21-44(2,3)4;1-34(2,33(38)39-3)24-42-30-15-12-27(13-16-30)31-17-14-28(20-35-31)32-36-29(23-41-22-26-10-8-7-9-11-26)21-37(32)25-40-18-19-43(4,5)6;1-35(2,3)16-15-33-21-31-18-25(20-34-19-22-7-5-4-6-8-22)30-28(31)24-11-14-27(29-17-24)23-9-12-26(32)13-10-23;1-6(2,4-7)5(8)9-3/h5-19,22-23H,20-21,24-27H2,1-4H3;7-17,20-21H,18-19,22-25H2,1-6H3;4-14,17-18,32H,15-16,19-21H2,1-3H3;7H,4H2,1-3H3
InChIKeyAYKPQUXFOZVVDC-UHFFFAOYSA-N
XLogP21.97
TPSA268.26 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds43
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001829.48
LogP ≤ 521.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol with MolForge

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Related Compounds

ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate
CID 53350015
tert-butyl 2,2-dimethyl-3-[2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate
CID 86698168
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
benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate
CID 67973036
3,6-bis(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)pyridine
CID 18923794
methyl 3-[4-[5-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate
CID 118030517
4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
CID 137154484
3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole
CID 141089729
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-[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
methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
CID 123686098
ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide
CID 158855139

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The IUPAC name of 2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (CID 157269970) is 2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is COC(=O)C(C)(C)CO.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(COCc4ccccc4)cn3COCC[Si](C)(C)C)cn2)cc1.COc1ccc(COc2ccc(-c3ccc(-c4nc(COCc5ccccc5)cn4COCC[Si](C)(C)C)cn3)cc2)cc1.C[Si](C)(C)CCOCn1cc(COCc2ccccc2)nc1-c1ccc(-c2ccc(O)cc2)nc1.
What is the InChIKey of 2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The InChIKey is AYKPQUXFOZVVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N3O4Si.C34H43N3O5Si.C28H33N3O3Si.C6H12O3/c1-40-33-15-10-29(11-16-33)25-43-34-17-12-30(13-18-34)35-19-14-31(22-37-35)36-38-32(26-42-24-28-8-6-5-7-9-28)23-39(36)27-41-20-21-44(2,3)4;1-34(2,33(38)39-3)24-42-30-15-12-27(13-16-30)31-17-14-28(20-35-31)32-36-29(23-41-22-26-10-8-7-9-11-26)21-37(32)25-40-18-19-43(4,5)6;1-35(2,3)16-15-33-21-31-18-25(20-34-19-22-7-5-4-6-8-22)30-28(31)24-11-14-27(29-17-24)23-9-12-26(32)13-10-23;1-6(2,4-7)5(8)9-3/h5-19,22-23H,20-21,24-27H2,1-4H3;7-17,20-21H,18-19,22-25H2,1-6H3;4-14,17-18,32H,15-16,19-21H2,1-3H3;7H,4H2,1-3H3.
What are the key properties of 2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol has a molecular weight of 1829.48 g/mol, XLogP of 21.97, 43 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 157269970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).