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

C22H26F3N3O2Si — CID 137138569

IUPAC4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESCc1nc(-c2ccc(-c3ccc(O)cc3)nc2)n(COCC[Si](C)(C)C)c1C(F)(F)F
InChIInChI=1S/C22H26F3N3O2Si/c1-15-20(22(23,24)25)28(14-30-11-12-31(2,3)4)21(27-15)17-7-10-19(26-13-17)16-5-8-18(29)9-6-16/h5-10,13,29H,11-12,14H2,1-4H3
InChIKeyCAVTYDDKPVEENM-UHFFFAOYSA-N
MW449.55 g/mol
LogP5.96
Rot. Bonds7

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

4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (PubChem CID 137138569) has the molecular formula C22H26F3N3O2Si and a molecular weight of 449.55 g/mol. Its IUPAC name is 4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
PubChem CID137138569
Molecular FormulaC22H26F3N3O2Si
Molecular Weight449.55 g/mol
Exact Mass449.17
IUPAC Name4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESCc1nc(-c2ccc(-c3ccc(O)cc3)nc2)n(COCC[Si](C)(C)C)c1C(F)(F)F
InChIInChI=1S/C22H26F3N3O2Si/c1-15-20(22(23,24)25)28(14-30-11-12-31(2,3)4)21(27-15)17-7-10-19(26-13-17)16-5-8-18(29)9-6-16/h5-10,13,29H,11-12,14H2,1-4H3
InChIKeyCAVTYDDKPVEENM-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 4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The IUPAC name of 4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (CID 137138569) is 4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The canonical SMILES for 4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is Cc1nc(-c2ccc(-c3ccc(O)cc3)nc2)n(COCC[Si](C)(C)C)c1C(F)(F)F.
What is the InChIKey of 4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The InChIKey is CAVTYDDKPVEENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2Si/c1-15-20(22(23,24)25)28(14-30-11-12-31(2,3)4)21(27-15)17-7-10-19(26-13-17)16-5-8-18(29)9-6-16/h5-10,13,29H,11-12,14H2,1-4H3.
What are the key properties of 4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
4-[5-[4-methyl-5-(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 4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 137138569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).