2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane

C20H24FN3OSi — CID 12044773

IUPAC2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H24FN3OSi/c1-26(2,3)13-12-25-15-24-14-23-19(16-8-10-22-11-9-16)20(24)17-4-6-18(21)7-5-17/h4-11,14H,12-13,15H2,1-3H3
InChIKeyKLHHFYHTAPSQFN-UHFFFAOYSA-N
MW369.52 g/mol
LogP5.06
Rot. Bonds7

About 2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 12044773) has the molecular formula C20H24FN3OSi and a molecular weight of 369.52 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID12044773
Molecular FormulaC20H24FN3OSi
Molecular Weight369.52 g/mol
Exact Mass369.17
IUPAC Name2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H24FN3OSi/c1-26(2,3)13-12-25-15-24-14-23-19(16-8-10-22-11-9-16)20(24)17-4-6-18(21)7-5-17/h4-11,14H,12-13,15H2,1-3H3
InChIKeyKLHHFYHTAPSQFN-UHFFFAOYSA-N
XLogP5.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.52
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 12044773) is 2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc(-c2ccncc2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is KLHHFYHTAPSQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OSi/c1-26(2,3)13-12-25-15-24-14-23-19(16-8-10-22-11-9-16)20(24)17-4-6-18(21)7-5-17/h4-11,14H,12-13,15H2,1-3H3.
What are the key properties of 2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 369.52 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 12044773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).