[1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane

C17H25FN2OSi — CID 173061972

IUPAC[1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane
SMILESCc1nc(C(O[SiH](C)C)C(C)(C)C)cn1-c1ccc(F)cc1
InChIInChI=1S/C17H25FN2OSi/c1-12-19-15(16(17(2,3)4)21-22(5)6)11-20(12)14-9-7-13(18)8-10-14/h7-11,16,22H,1-6H3
InChIKeyQPLIKAXDJDTZLA-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.41
Rot. Bonds4

About [1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane

[1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane (PubChem CID 173061972) has the molecular formula C17H25FN2OSi and a molecular weight of 320.48 g/mol. Its IUPAC name is [1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane.

Molecular Properties

Compound Name[1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane
PubChem CID173061972
Molecular FormulaC17H25FN2OSi
Molecular Weight320.48 g/mol
Exact Mass320.17
IUPAC Name[1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane
SMILESCc1nc(C(O[SiH](C)C)C(C)(C)C)cn1-c1ccc(F)cc1
InChIInChI=1S/C17H25FN2OSi/c1-12-19-15(16(17(2,3)4)21-22(5)6)11-20(12)14-9-7-13(18)8-10-14/h7-11,16,22H,1-6H3
InChIKeyQPLIKAXDJDTZLA-UHFFFAOYSA-N
XLogP4.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane?
The IUPAC name of [1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane (CID 173061972) is [1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane.
What is the SMILES notation for [1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane?
The canonical SMILES for [1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane is Cc1nc(C(O[SiH](C)C)C(C)(C)C)cn1-c1ccc(F)cc1.
What is the InChIKey of [1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane?
The InChIKey is QPLIKAXDJDTZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2OSi/c1-12-19-15(16(17(2,3)4)21-22(5)6)11-20(12)14-9-7-13(18)8-10-14/h7-11,16,22H,1-6H3.
What are the key properties of [1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane?
[1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane has a molecular weight of 320.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane is sourced from PubChem (CID 173061972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).