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

C49H54F6N6O4Si2 — CID 158079523

IUPAC4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(O)cc2)nc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C28H30F3N3O2Si.C21H24F3N3O2Si/c1-37(2,3)16-15-35-20-34-18-26(28(29,30)31)33-27(34)23-11-14-25(32-17-23)22-9-12-24(13-10-22)36-19-21-7-5-4-6-8-21;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/h4-14,17-18H,15-16,19-20H2,1-3H3;4-9,12-13,28H,10-11,14H2,1-3H3
InChIKeyFMTXLAQTDAMMGJ-UHFFFAOYSA-N
MW961.17 g/mol
LogP13.17
Rot. Bonds17

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

4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 158079523) has the molecular formula C49H54F6N6O4Si2 and a molecular weight of 961.17 g/mol. Its IUPAC name is 4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Name4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
PubChem CID158079523
Molecular FormulaC49H54F6N6O4Si2
Molecular Weight961.17 g/mol
Exact Mass960.36
IUPAC Name4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(O)cc2)nc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C28H30F3N3O2Si.C21H24F3N3O2Si/c1-37(2,3)16-15-35-20-34-18-26(28(29,30)31)33-27(34)23-11-14-25(32-17-23)22-9-12-24(13-10-22)36-19-21-7-5-4-6-8-21;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/h4-14,17-18H,15-16,19-20H2,1-3H3;4-9,12-13,28H,10-11,14H2,1-3H3
InChIKeyFMTXLAQTDAMMGJ-UHFFFAOYSA-N
XLogP13.17
TPSA109.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.17
LogP ≤ 513.17
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'}

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of 4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (CID 158079523) is 4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for 4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for 4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(O)cc2)nc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of 4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is FMTXLAQTDAMMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N3O2Si.C21H24F3N3O2Si/c1-37(2,3)16-15-35-20-34-18-26(28(29,30)31)33-27(34)23-11-14-25(32-17-23)22-9-12-24(13-10-22)36-19-21-7-5-4-6-8-21;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/h4-14,17-18H,15-16,19-20H2,1-3H3;4-9,12-13,28H,10-11,14H2,1-3H3.
What are the key properties of 4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 961.17 g/mol, XLogP of 13.17, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 158079523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).