2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C18H24BrN5OSi — CID 87327620

IUPAC2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cccc2nc(/C=C/c3nc(Br)cn3COCC[Si](C)(C)C)nn12
InChIInChI=1S/C18H24BrN5OSi/c1-14-6-5-7-18-21-16(22-24(14)18)8-9-17-20-15(19)12-23(17)13-25-10-11-26(2,3)4/h5-9,12H,10-11,13H2,1-4H3/b9-8+
InChIKeyYDWGDMVHXVPLFV-CMDGGOBGSA-N
MW434.41 g/mol
LogP4.48
Rot. Bonds7

About 2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 87327620) has the molecular formula C18H24BrN5OSi and a molecular weight of 434.41 g/mol. Its IUPAC name is 2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID87327620
Molecular FormulaC18H24BrN5OSi
Molecular Weight434.41 g/mol
Exact Mass433.09
IUPAC Name2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cccc2nc(/C=C/c3nc(Br)cn3COCC[Si](C)(C)C)nn12
InChIInChI=1S/C18H24BrN5OSi/c1-14-6-5-7-18-21-16(22-24(14)18)8-9-17-20-15(19)12-23(17)13-25-10-11-26(2,3)4/h5-9,12H,10-11,13H2,1-4H3/b9-8+
InChIKeyYDWGDMVHXVPLFV-CMDGGOBGSA-N
XLogP4.48
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 87327620) is 2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cccc2nc(/C=C/c3nc(Br)cn3COCC[Si](C)(C)C)nn12.
What is the InChIKey of 2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YDWGDMVHXVPLFV-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H24BrN5OSi/c1-14-6-5-7-18-21-16(22-24(14)18)8-9-17-20-15(19)12-23(17)13-25-10-11-26(2,3)4/h5-9,12H,10-11,13H2,1-4H3/b9-8+.
What are the key properties of 2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 434.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 87327620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).