2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C16H22BrClN2O2Si — CID 169030760

IUPAC2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(-c2cn(COCC[Si](C)(C)C)cn2)c(Br)cc1Cl
InChIInChI=1S/C16H22BrClN2O2Si/c1-21-16-7-12(13(17)8-14(16)18)15-9-20(10-19-15)11-22-5-6-23(2,3)4/h7-10H,5-6,11H2,1-4H3
InChIKeyHOZGFJJFHKWOCD-UHFFFAOYSA-N
MW417.81 g/mol
LogP5.29
Rot. Bonds7

About 2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 169030760) has the molecular formula C16H22BrClN2O2Si and a molecular weight of 417.81 g/mol. Its IUPAC name is 2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID169030760
Molecular FormulaC16H22BrClN2O2Si
Molecular Weight417.81 g/mol
Exact Mass416.03
IUPAC Name2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(-c2cn(COCC[Si](C)(C)C)cn2)c(Br)cc1Cl
InChIInChI=1S/C16H22BrClN2O2Si/c1-21-16-7-12(13(17)8-14(16)18)15-9-20(10-19-15)11-22-5-6-23(2,3)4/h7-10H,5-6,11H2,1-4H3
InChIKeyHOZGFJJFHKWOCD-UHFFFAOYSA-N
XLogP5.29
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.81
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 169030760) is 2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is COc1cc(-c2cn(COCC[Si](C)(C)C)cn2)c(Br)cc1Cl.
What is the InChIKey of 2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HOZGFJJFHKWOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2O2Si/c1-21-16-7-12(13(17)8-14(16)18)15-9-20(10-19-15)11-22-5-6-23(2,3)4/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 417.81 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 169030760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).