4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol

C21H24F3N3O2Si — CID 137031724

IUPAC4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C21H24F3N3O2Si/c1-30(2,3)11-10-29-14-27-13-19(21(22,23)24)26-20(27)18-9-6-16(12-25-18)15-4-7-17(28)8-5-15/h4-9,12-13,28H,10-11,14H2,1-3H3
InChIKeyAZTCMDSGNHUJEO-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.65
Rot. Bonds7

About 4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol

4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol (PubChem CID 137031724) has the molecular formula C21H24F3N3O2Si and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol
PubChem CID137031724
Molecular FormulaC21H24F3N3O2Si
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC Name4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C21H24F3N3O2Si/c1-30(2,3)11-10-29-14-27-13-19(21(22,23)24)26-20(27)18-9-6-16(12-25-18)15-4-7-17(28)8-5-15/h4-9,12-13,28H,10-11,14H2,1-3H3
InChIKeyAZTCMDSGNHUJEO-UHFFFAOYSA-N
XLogP5.65
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.65
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-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol?
The IUPAC name of 4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol (CID 137031724) is 4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol.
What is the SMILES notation for 4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol?
The canonical SMILES for 4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol is C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(O)cc2)cn1.
What is the InChIKey of 4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol?
The InChIKey is AZTCMDSGNHUJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2Si/c1-30(2,3)11-10-29-14-27-13-19(21(22,23)24)26-20(27)18-9-6-16(12-25-18)15-4-7-17(28)8-5-15/h4-9,12-13,28H,10-11,14H2,1-3H3.
What are the key properties of 4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol?
4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol has a molecular weight of 435.52 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]phenol is sourced from PubChem (CID 137031724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).