(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane

C17H26N2OSi — CID 14410060

IUPAC(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cncn1Cc1ccccc1
InChIInChI=1S/C17H26N2OSi/c1-17(2,3)21(4,5)20-13-16-11-18-14-19(16)12-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3
InChIKeyVWYLVBPXNJZYOV-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.45
Rot. Bonds5

About (3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane

(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 14410060) has the molecular formula C17H26N2OSi and a molecular weight of 302.49 g/mol. Its IUPAC name is (3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID14410060
Molecular FormulaC17H26N2OSi
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cncn1Cc1ccccc1
InChIInChI=1S/C17H26N2OSi/c1-17(2,3)21(4,5)20-13-16-11-18-14-19(16)12-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3
InChIKeyVWYLVBPXNJZYOV-UHFFFAOYSA-N
XLogP4.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.45
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 (3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane (CID 14410060) is (3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cncn1Cc1ccccc1.
What is the InChIKey of (3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is VWYLVBPXNJZYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OSi/c1-17(2,3)21(4,5)20-13-16-11-18-14-19(16)12-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3.
What are the key properties of (3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane?
(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 302.49 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 14410060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).