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

C22H26F3N3O2Si — CID 137154484

IUPAC4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESCc1c(C(F)(F)F)nc(-c2ccc(-c3ccc(O)cc3)nc2)n1COCC[Si](C)(C)C
InChIInChI=1S/C22H26F3N3O2Si/c1-15-20(22(23,24)25)27-21(28(15)14-30-11-12-31(2,3)4)17-7-10-19(26-13-17)16-5-8-18(29)9-6-16/h5-10,13,29H,11-12,14H2,1-4H3
InChIKeyCHBMHTWRZYJPSM-UHFFFAOYSA-N
MW449.55 g/mol
LogP5.96
Rot. Bonds7

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

4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (PubChem CID 137154484) has the molecular formula C22H26F3N3O2Si and a molecular weight of 449.55 g/mol. Its IUPAC name is 4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
PubChem CID137154484
Molecular FormulaC22H26F3N3O2Si
Molecular Weight449.55 g/mol
Exact Mass449.17
IUPAC Name4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
SMILESCc1c(C(F)(F)F)nc(-c2ccc(-c3ccc(O)cc3)nc2)n1COCC[Si](C)(C)C
InChIInChI=1S/C22H26F3N3O2Si/c1-15-20(22(23,24)25)27-21(28(15)14-30-11-12-31(2,3)4)17-7-10-19(26-13-17)16-5-8-18(29)9-6-16/h5-10,13,29H,11-12,14H2,1-4H3
InChIKeyCHBMHTWRZYJPSM-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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Related Compounds

2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 46895437
2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 125498321
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176706396
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 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate
CID 176706576
tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate
CID 46917856
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
methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
CID 123872148
6-(4-methoxyphenyl)pyridin-3-ol
CID 53229210
4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol
CID 153483568
2-[[2-(4-bromo-2-pyridinyl)-4,5-dimethylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140796375

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The IUPAC name of 4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol (CID 137154484) is 4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The canonical SMILES for 4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is Cc1c(C(F)(F)F)nc(-c2ccc(-c3ccc(O)cc3)nc2)n1COCC[Si](C)(C)C.
What is the InChIKey of 4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
The InChIKey is CHBMHTWRZYJPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2Si/c1-15-20(22(23,24)25)27-21(28(15)14-30-11-12-31(2,3)4)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-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol?
4-[5-[5-methyl-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 4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 137154484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).