2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane

C23H29N5OSSi — CID 53251469

IUPAC2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc(C)n2cc(/C=C/c3nc(-c4cccs4)cn3COCC[Si](C)(C)C)nc2n1
InChIInChI=1S/C23H29N5OSSi/c1-17-13-18(2)28-14-19(25-23(28)24-17)8-9-22-26-20(21-7-6-11-30-21)15-27(22)16-29-10-12-31(3,4)5/h6-9,11,13-15H,10,12,16H2,1-5H3/b9-8+
InChIKeyCSLSTKUCKXLLPS-CMDGGOBGSA-N
MW451.67 g/mol
LogP5.75
Rot. Bonds8

About 2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 53251469) has the molecular formula C23H29N5OSSi and a molecular weight of 451.67 g/mol. Its IUPAC name is 2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID53251469
Molecular FormulaC23H29N5OSSi
Molecular Weight451.67 g/mol
Exact Mass451.19
IUPAC Name2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc(C)n2cc(/C=C/c3nc(-c4cccs4)cn3COCC[Si](C)(C)C)nc2n1
InChIInChI=1S/C23H29N5OSSi/c1-17-13-18(2)28-14-19(25-23(28)24-17)8-9-22-26-20(21-7-6-11-30-21)15-27(22)16-29-10-12-31(3,4)5/h6-9,11,13-15H,10,12,16H2,1-5H3/b9-8+
InChIKeyCSLSTKUCKXLLPS-CMDGGOBGSA-N
XLogP5.75
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.67
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'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-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 53251469) is 2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cc(C)n2cc(/C=C/c3nc(-c4cccs4)cn3COCC[Si](C)(C)C)nc2n1.
What is the InChIKey of 2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CSLSTKUCKXLLPS-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H29N5OSSi/c1-17-13-18(2)28-14-19(25-23(28)24-17)8-9-22-26-20(21-7-6-11-30-21)15-27(22)16-29-10-12-31(3,4)5/h6-9,11,13-15H,10,12,16H2,1-5H3/b9-8+.
What are the key properties of 2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 451.67 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-4-thiophen-2-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 53251469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).