2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone

C11H19ClN2O2Si — CID 23003462

IUPAC2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone
SMILESC[Si](C)(C)CCOCc1cnc(C(=O)CCl)[nH]1
InChIInChI=1S/C11H19ClN2O2Si/c1-17(2,3)5-4-16-8-9-7-13-11(14-9)10(15)6-12/h7H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyOBLVPRDJKRGTGV-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.69
Rot. Bonds7

About 2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone

2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone (PubChem CID 23003462) has the molecular formula C11H19ClN2O2Si and a molecular weight of 274.82 g/mol. Its IUPAC name is 2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone
PubChem CID23003462
Molecular FormulaC11H19ClN2O2Si
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone
SMILESC[Si](C)(C)CCOCc1cnc(C(=O)CCl)[nH]1
InChIInChI=1S/C11H19ClN2O2Si/c1-17(2,3)5-4-16-8-9-7-13-11(14-9)10(15)6-12/h7H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyOBLVPRDJKRGTGV-UHFFFAOYSA-N
XLogP2.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone?
The IUPAC name of 2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone (CID 23003462) is 2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone?
The canonical SMILES for 2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone is C[Si](C)(C)CCOCc1cnc(C(=O)CCl)[nH]1.
What is the InChIKey of 2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone?
The InChIKey is OBLVPRDJKRGTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2Si/c1-17(2,3)5-4-16-8-9-7-13-11(14-9)10(15)6-12/h7H,4-6,8H2,1-3H3,(H,13,14).
What are the key properties of 2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone?
2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone has a molecular weight of 274.82 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]ethanone is sourced from PubChem (CID 23003462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).