1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one

C16H22N2OSi — CID 103438572

IUPAC1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one
SMILESC[Si](C)(C)c1ccc(Cn2ccn(C3CC3)c2=O)cc1
InChIInChI=1S/C16H22N2OSi/c1-20(2,3)15-8-4-13(5-9-15)12-17-10-11-18(16(17)19)14-6-7-14/h4-5,8-11,14H,6-7,12H2,1-3H3
InChIKeyXSKAYSULHRXBCQ-UHFFFAOYSA-N
MW286.45 g/mol
LogP2.58
Rot. Bonds4

About 1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one

1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one (PubChem CID 103438572) has the molecular formula C16H22N2OSi and a molecular weight of 286.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one
PubChem CID103438572
Molecular FormulaC16H22N2OSi
Molecular Weight286.45 g/mol
Exact Mass286.15
IUPAC Name1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one
SMILESC[Si](C)(C)c1ccc(Cn2ccn(C3CC3)c2=O)cc1
InChIInChI=1S/C16H22N2OSi/c1-20(2,3)15-8-4-13(5-9-15)12-17-10-11-18(16(17)19)14-6-7-14/h4-5,8-11,14H,6-7,12H2,1-3H3
InChIKeyXSKAYSULHRXBCQ-UHFFFAOYSA-N
XLogP2.58
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one (CID 103438572) is 1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one is C[Si](C)(C)c1ccc(Cn2ccn(C3CC3)c2=O)cc1.
What is the InChIKey of 1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one?
The InChIKey is XSKAYSULHRXBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OSi/c1-20(2,3)15-8-4-13(5-9-15)12-17-10-11-18(16(17)19)14-6-7-14/h4-5,8-11,14H,6-7,12H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one?
1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one has a molecular weight of 286.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one is sourced from PubChem (CID 103438572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).