2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane

C12H20N2OSi — CID 58765592

IUPAC2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC#Cc1cn(COCC[Si](C)(C)C)c(C)n1
InChIInChI=1S/C12H20N2OSi/c1-6-12-9-14(11(2)13-12)10-15-7-8-16(3,4)5/h1,9H,7-8,10H2,2-5H3
InChIKeySRPKPIXRSYILFB-UHFFFAOYSA-N
MW236.39 g/mol
LogP2.49
Rot. Bonds5

About 2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 58765592) has the molecular formula C12H20N2OSi and a molecular weight of 236.39 g/mol. Its IUPAC name is 2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID58765592
Molecular FormulaC12H20N2OSi
Molecular Weight236.39 g/mol
Exact Mass236.13
IUPAC Name2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC#Cc1cn(COCC[Si](C)(C)C)c(C)n1
InChIInChI=1S/C12H20N2OSi/c1-6-12-9-14(11(2)13-12)10-15-7-8-16(3,4)5/h1,9H,7-8,10H2,2-5H3
InChIKeySRPKPIXRSYILFB-UHFFFAOYSA-N
XLogP2.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 89094435
trimethyl-[2-[(2-methyl-4-nitroimidazol-1-yl)methoxy]ethyl]silane
CID 168974471
2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]acetonitrile
CID 71001888
4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 142729257
2-[4,5-dimethoxy-2-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]ethanol
CID 70810165
propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 73053474
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511
2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 86688618
2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176911692
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 87132869
5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 167537057

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane (CID 58765592) is 2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane is C#Cc1cn(COCC[Si](C)(C)C)c(C)n1.
What is the InChIKey of 2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is SRPKPIXRSYILFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OSi/c1-6-12-9-14(11(2)13-12)10-15-7-8-16(3,4)5/h1,9H,7-8,10H2,2-5H3.
What are the key properties of 2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 236.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58765592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).