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

C16H23FN2OSi — CID 173222811

IUPAC[1-[1-(4-fluorophenyl)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane
SMILESC[SiH](C)OC(c1cn(-c2ccc(F)cc2)cn1)C(C)(C)C
InChIInChI=1S/C16H23FN2OSi/c1-16(2,3)15(20-21(4)5)14-10-19(11-18-14)13-8-6-12(17)7-9-13/h6-11,15,21H,1-5H3
InChIKeyIUTBRSCKRNWRJS-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.10
Rot. Bonds4

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

[1-[1-(4-fluorophenyl)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane (PubChem CID 173222811) has the molecular formula C16H23FN2OSi and a molecular weight of 306.46 g/mol. Its IUPAC name is [1-[1-(4-fluorophenyl)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane.

Molecular Properties

Compound Name[1-[1-(4-fluorophenyl)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane
PubChem CID173222811
Molecular FormulaC16H23FN2OSi
Molecular Weight306.46 g/mol
Exact Mass306.16
IUPAC Name[1-[1-(4-fluorophenyl)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane
SMILESC[SiH](C)OC(c1cn(-c2ccc(F)cc2)cn1)C(C)(C)C
InChIInChI=1S/C16H23FN2OSi/c1-16(2,3)15(20-21(4)5)14-10-19(11-18-14)13-8-6-12(17)7-9-13/h6-11,15,21H,1-5H3
InChIKeyIUTBRSCKRNWRJS-UHFFFAOYSA-N
XLogP4.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.10
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)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane?
The IUPAC name of [1-[1-(4-fluorophenyl)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane (CID 173222811) is [1-[1-(4-fluorophenyl)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane.
What is the SMILES notation for [1-[1-(4-fluorophenyl)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane?
The canonical SMILES for [1-[1-(4-fluorophenyl)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane is C[SiH](C)OC(c1cn(-c2ccc(F)cc2)cn1)C(C)(C)C.
What is the InChIKey of [1-[1-(4-fluorophenyl)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane?
The InChIKey is IUTBRSCKRNWRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2OSi/c1-16(2,3)15(20-21(4)5)14-10-19(11-18-14)13-8-6-12(17)7-9-13/h6-11,15,21H,1-5H3.
What are the key properties of [1-[1-(4-fluorophenyl)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane?
[1-[1-(4-fluorophenyl)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane has a molecular weight of 306.46 g/mol, XLogP of 4.10, 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)imidazol-4-yl]-2,2-dimethylpropoxy]-dimethylsilane is sourced from PubChem (CID 173222811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).