3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol

C22H26F3N3O2Si — CID 136623962

IUPAC3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESCc1cc(O)ccc1-c1ccc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)cn1
InChIInChI=1S/C22H26F3N3O2Si/c1-15-11-17(29)6-7-18(15)19-8-5-16(12-26-19)21-27-20(22(23,24)25)13-28(21)14-30-9-10-31(2,3)4/h5-8,11-13,29H,9-10,14H2,1-4H3
InChIKeyZOUADUVNKBKWGR-UHFFFAOYSA-N
MW449.55 g/mol
LogP5.96
Rot. Bonds7

About 3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol

3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (PubChem CID 136623962) has the molecular formula C22H26F3N3O2Si and a molecular weight of 449.55 g/mol. Its IUPAC name is 3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
PubChem CID136623962
Molecular FormulaC22H26F3N3O2Si
Molecular Weight449.55 g/mol
Exact Mass449.17
IUPAC Name3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESCc1cc(O)ccc1-c1ccc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)cn1
InChIInChI=1S/C22H26F3N3O2Si/c1-15-11-17(29)6-7-18(15)19-8-5-16(12-26-19)21-27-20(22(23,24)25)13-28(21)14-30-9-10-31(2,3)4/h5-8,11-13,29H,9-10,14H2,1-4H3
InChIKeyZOUADUVNKBKWGR-UHFFFAOYSA-N
XLogP5.96
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The IUPAC name of 3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (CID 136623962) is 3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The canonical SMILES for 3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is Cc1cc(O)ccc1-c1ccc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)cn1.
What is the InChIKey of 3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The InChIKey is ZOUADUVNKBKWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2Si/c1-15-11-17(29)6-7-18(15)19-8-5-16(12-26-19)21-27-20(22(23,24)25)13-28(21)14-30-9-10-31(2,3)4/h5-8,11-13,29H,9-10,14H2,1-4H3.
What are the key properties of 3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol has a molecular weight of 449.55 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 136623962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).