phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone

C16H22N2O2Si — CID 174251990

IUPACphenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
SMILESC[Si](C)(C)CCOCn1ccnc1C(=O)c1ccccc1
InChIInChI=1S/C16H22N2O2Si/c1-21(2,3)12-11-20-13-18-10-9-17-16(18)15(19)14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3
InChIKeyQEKISMGSPUGCOP-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.43
Rot. Bonds7

About phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone

phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone (PubChem CID 174251990) has the molecular formula C16H22N2O2Si and a molecular weight of 302.45 g/mol. Its IUPAC name is phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
PubChem CID174251990
Molecular FormulaC16H22N2O2Si
Molecular Weight302.45 g/mol
Exact Mass302.15
IUPAC Namephenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
SMILESC[Si](C)(C)CCOCn1ccnc1C(=O)c1ccccc1
InChIInChI=1S/C16H22N2O2Si/c1-21(2,3)12-11-20-13-18-10-9-17-16(18)15(19)14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3
InChIKeyQEKISMGSPUGCOP-UHFFFAOYSA-N
XLogP3.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid
CID 154665027
(4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
CID 155711450
(3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
CID 164860021
2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 11266682
[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-phenylmethanone
CID 157048343
N-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-amine
CID 155615799
(4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone
CID 105101200
2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59276562
(NE)-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methylidene]hydroxylamine
CID 140658225
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
[1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone
CID 99802791

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
The IUPAC name of phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone (CID 174251990) is phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone.
What is the SMILES notation for phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
The canonical SMILES for phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone is C[Si](C)(C)CCOCn1ccnc1C(=O)c1ccccc1.
What is the InChIKey of phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
The InChIKey is QEKISMGSPUGCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2Si/c1-21(2,3)12-11-20-13-18-10-9-17-16(18)15(19)14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3.
What are the key properties of phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone has a molecular weight of 302.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone is sourced from PubChem (CID 174251990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).