tert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane

C17H25FN2OSi — CID 59086034

IUPACtert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cncn1Cc1cccc(F)c1
InChIInChI=1S/C17H25FN2OSi/c1-17(2,3)22(4,5)21-12-16-10-19-13-20(16)11-14-7-6-8-15(18)9-14/h6-10,13H,11-12H2,1-5H3
InChIKeyRKPYSMUFYOQYQZ-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.59
Rot. Bonds5

About tert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane

tert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane (PubChem CID 59086034) has the molecular formula C17H25FN2OSi and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane
PubChem CID59086034
Molecular FormulaC17H25FN2OSi
Molecular Weight320.48 g/mol
Exact Mass320.17
IUPAC Nametert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cncn1Cc1cccc(F)c1
InChIInChI=1S/C17H25FN2OSi/c1-17(2,3)22(4,5)21-12-16-10-19-13-20(16)11-14-7-6-8-15(18)9-14/h6-10,13H,11-12H2,1-5H3
InChIKeyRKPYSMUFYOQYQZ-UHFFFAOYSA-N
XLogP4.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.59
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 tert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane (CID 59086034) is tert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cncn1Cc1cccc(F)c1.
What is the InChIKey of tert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane?
The InChIKey is RKPYSMUFYOQYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2OSi/c1-17(2,3)22(4,5)21-12-16-10-19-13-20(16)11-14-7-6-8-15(18)9-14/h6-10,13H,11-12H2,1-5H3.
What are the key properties of tert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane has a molecular weight of 320.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-[(3-fluorophenyl)methyl]imidazol-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 59086034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).