1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane

C27H37BrN2OSi — CID 19021754

IUPAC1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(OCn1c(CCCCCCBr)nc(-c2ccccc2)c1-c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C27H37BrN2OSi/c1-22(32(2,3)4)31-21-30-25(19-13-5-6-14-20-28)29-26(23-15-9-7-10-16-23)27(30)24-17-11-8-12-18-24/h7-12,15-18,22H,5-6,13-14,19-21H2,1-4H3
InChIKeyJYDOMXXWQDDIDY-UHFFFAOYSA-N
MW513.60 g/mol
LogP7.95
Rot. Bonds12

About 1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane

1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 19021754) has the molecular formula C27H37BrN2OSi and a molecular weight of 513.60 g/mol. Its IUPAC name is 1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID19021754
Molecular FormulaC27H37BrN2OSi
Molecular Weight513.60 g/mol
Exact Mass512.19
IUPAC Name1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(OCn1c(CCCCCCBr)nc(-c2ccccc2)c1-c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C27H37BrN2OSi/c1-22(32(2,3)4)31-21-30-25(19-13-5-6-14-20-28)29-26(23-15-9-7-10-16-23)27(30)24-17-11-8-12-18-24/h7-12,15-18,22H,5-6,13-14,19-21H2,1-4H3
InChIKeyJYDOMXXWQDDIDY-UHFFFAOYSA-N
XLogP7.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 19021754) is 1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane is CC(OCn1c(CCCCCCBr)nc(-c2ccccc2)c1-c1ccccc1)[Si](C)(C)C.
What is the InChIKey of 1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is JYDOMXXWQDDIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37BrN2OSi/c1-22(32(2,3)4)31-21-30-25(19-13-5-6-14-20-28)29-26(23-15-9-7-10-16-23)27(30)24-17-11-8-12-18-24/h7-12,15-18,22H,5-6,13-14,19-21H2,1-4H3.
What are the key properties of 1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 513.60 g/mol, XLogP of 7.95, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(6-bromohexyl)-4,5-diphenylimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 19021754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).