2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C15H20BrClN2OSi — CID 86688618

IUPAC2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(Br)nc1-c1ccccc1Cl
InChIInChI=1S/C15H20BrClN2OSi/c1-21(2,3)9-8-20-11-19-10-14(16)18-15(19)12-6-4-5-7-13(12)17/h4-7,10H,8-9,11H2,1-3H3
InChIKeyASXQJHYXLFFJRS-UHFFFAOYSA-N
MW387.78 g/mol
LogP5.28
Rot. Bonds6

About 2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 86688618) has the molecular formula C15H20BrClN2OSi and a molecular weight of 387.78 g/mol. Its IUPAC name is 2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID86688618
Molecular FormulaC15H20BrClN2OSi
Molecular Weight387.78 g/mol
Exact Mass386.02
IUPAC Name2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(Br)nc1-c1ccccc1Cl
InChIInChI=1S/C15H20BrClN2OSi/c1-21(2,3)9-8-20-11-19-10-14(16)18-15(19)12-6-4-5-7-13(12)17/h4-7,10H,8-9,11H2,1-3H3
InChIKeyASXQJHYXLFFJRS-UHFFFAOYSA-N
XLogP5.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.78
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 86688618) is 2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(Br)nc1-c1ccccc1Cl.
What is the InChIKey of 2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ASXQJHYXLFFJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2OSi/c1-21(2,3)9-8-20-11-19-10-14(16)18-15(19)12-6-4-5-7-13(12)17/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 387.78 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 86688618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).