1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone

C12H22N2O2Si — CID 173491713

IUPAC1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(C(O[SiH](C)C)C(C)(C)C)[nH]1
InChIInChI=1S/C12H22N2O2Si/c1-8(15)11-13-7-9(14-11)10(12(2,3)4)16-17(5)6/h7,10,17H,1-6H3,(H,13,14)
InChIKeyLTEAPNYZJXHVPR-UHFFFAOYSA-N
MW254.41 g/mol
LogP2.70
Rot. Bonds4

About 1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone

1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone (PubChem CID 173491713) has the molecular formula C12H22N2O2Si and a molecular weight of 254.41 g/mol. Its IUPAC name is 1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone
PubChem CID173491713
Molecular FormulaC12H22N2O2Si
Molecular Weight254.41 g/mol
Exact Mass254.15
IUPAC Name1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(C(O[SiH](C)C)C(C)(C)C)[nH]1
InChIInChI=1S/C12H22N2O2Si/c1-8(15)11-13-7-9(14-11)10(12(2,3)4)16-17(5)6/h7,10,17H,1-6H3,(H,13,14)
InChIKeyLTEAPNYZJXHVPR-UHFFFAOYSA-N
XLogP2.70
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
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-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone?
The IUPAC name of 1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone (CID 173491713) is 1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone is CC(=O)c1ncc(C(O[SiH](C)C)C(C)(C)C)[nH]1.
What is the InChIKey of 1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone?
The InChIKey is LTEAPNYZJXHVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2Si/c1-8(15)11-13-7-9(14-11)10(12(2,3)4)16-17(5)6/h7,10,17H,1-6H3,(H,13,14).
What are the key properties of 1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone?
1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone has a molecular weight of 254.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-1H-imidazol-2-yl]ethanone is sourced from PubChem (CID 173491713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).