2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

C51H58F6N6O4Si2 — CID 157187670

IUPAC2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1cc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)ccc1O.Cc1cc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)ccc1OCc1ccccc1
InChIInChI=1S/C29H32F3N3O2Si.C22H26F3N3O2Si/c1-21-16-23(11-13-26(21)37-19-22-8-6-5-7-9-22)25-12-10-24(17-33-25)28-34-27(29(30,31)32)18-35(28)20-36-14-15-38(2,3)4;1-15-11-16(6-8-19(15)29)18-7-5-17(12-26-18)21-27-20(22(23,24)25)13-28(21)14-30-9-10-31(2,3)4/h5-13,16-18H,14-15,19-20H2,1-4H3;5-8,11-13,29H,9-10,14H2,1-4H3
InChIKeyAPHQTXRYJDJYFI-UHFFFAOYSA-N
MW989.22 g/mol
LogP13.79
Rot. Bonds17

About 2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 157187670) has the molecular formula C51H58F6N6O4Si2 and a molecular weight of 989.22 g/mol. Its IUPAC name is 2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Name2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
PubChem CID157187670
Molecular FormulaC51H58F6N6O4Si2
Molecular Weight989.22 g/mol
Exact Mass988.40
IUPAC Name2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1cc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)ccc1O.Cc1cc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)ccc1OCc1ccccc1
InChIInChI=1S/C29H32F3N3O2Si.C22H26F3N3O2Si/c1-21-16-23(11-13-26(21)37-19-22-8-6-5-7-9-22)25-12-10-24(17-33-25)28-34-27(29(30,31)32)18-35(28)20-36-14-15-38(2,3)4;1-15-11-16(6-8-19(15)29)18-7-5-17(12-26-18)21-27-20(22(23,24)25)13-28(21)14-30-9-10-31(2,3)4/h5-13,16-18H,14-15,19-20H2,1-4H3;5-8,11-13,29H,9-10,14H2,1-4H3
InChIKeyAPHQTXRYJDJYFI-UHFFFAOYSA-N
XLogP13.79
TPSA109.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.22
LogP ≤ 513.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of 2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (CID 157187670) is 2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for 2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for 2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is Cc1cc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)ccc1O.Cc1cc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)ccc1OCc1ccccc1.
What is the InChIKey of 2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is APHQTXRYJDJYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N3O2Si.C22H26F3N3O2Si/c1-21-16-23(11-13-26(21)37-19-22-8-6-5-7-9-22)25-12-10-24(17-33-25)28-34-27(29(30,31)32)18-35(28)20-36-14-15-38(2,3)4;1-15-11-16(6-8-19(15)29)18-7-5-17(12-26-18)21-27-20(22(23,24)25)13-28(21)14-30-9-10-31(2,3)4/h5-13,16-18H,14-15,19-20H2,1-4H3;5-8,11-13,29H,9-10,14H2,1-4H3.
What are the key properties of 2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 989.22 g/mol, XLogP of 13.79, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 157187670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).