4-trimethylsilylimidazol-2-one

C6H10N2OSi — CID 174325997

IUPAC4-trimethylsilylimidazol-2-one
SMILESC[Si](C)(C)C1=NC(=O)N=C1
InChIInChI=1S/C6H10N2OSi/c1-10(2,3)5-4-7-6(9)8-5/h4H,1-3H3
InChIKeyKJXPWBQQXMPLSV-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.51
Rot. Bonds1

About 4-trimethylsilylimidazol-2-one

4-trimethylsilylimidazol-2-one (PubChem CID 174325997) has the molecular formula C6H10N2OSi and a molecular weight of 154.24 g/mol. Its IUPAC name is 4-trimethylsilylimidazol-2-one.

Molecular Properties

Compound Name4-trimethylsilylimidazol-2-one
PubChem CID174325997
Molecular FormulaC6H10N2OSi
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name4-trimethylsilylimidazol-2-one
SMILESC[Si](C)(C)C1=NC(=O)N=C1
InChIInChI=1S/C6H10N2OSi/c1-10(2,3)5-4-7-6(9)8-5/h4H,1-3H3
InChIKeyKJXPWBQQXMPLSV-UHFFFAOYSA-N
XLogP1.51
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilylimidazol-2-one?
The IUPAC name of 4-trimethylsilylimidazol-2-one (CID 174325997) is 4-trimethylsilylimidazol-2-one.
What is the SMILES notation for 4-trimethylsilylimidazol-2-one?
The canonical SMILES for 4-trimethylsilylimidazol-2-one is C[Si](C)(C)C1=NC(=O)N=C1.
What is the InChIKey of 4-trimethylsilylimidazol-2-one?
The InChIKey is KJXPWBQQXMPLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OSi/c1-10(2,3)5-4-7-6(9)8-5/h4H,1-3H3.
What are the key properties of 4-trimethylsilylimidazol-2-one?
4-trimethylsilylimidazol-2-one has a molecular weight of 154.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylimidazol-2-one is sourced from PubChem (CID 174325997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).