2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C16H27N3OSi — CID 89094435

IUPAC2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC#Cc1cn(COCC[Si](C)(C)C)c([C@@H]2CCCN2C)n1
InChIInChI=1S/C16H27N3OSi/c1-6-14-12-19(13-20-10-11-21(3,4)5)16(17-14)15-8-7-9-18(15)2/h1,12,15H,7-11,13H2,2-5H3/t15-/m0/s1
InChIKeyBYHROFNOMWDPNY-HNNXBMFYSA-N
MW305.50 g/mol
LogP2.94
Rot. Bonds6

About 2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 89094435) has the molecular formula C16H27N3OSi and a molecular weight of 305.50 g/mol. Its IUPAC name is 2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID89094435
Molecular FormulaC16H27N3OSi
Molecular Weight305.50 g/mol
Exact Mass305.19
IUPAC Name2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC#Cc1cn(COCC[Si](C)(C)C)c([C@@H]2CCCN2C)n1
InChIInChI=1S/C16H27N3OSi/c1-6-14-12-19(13-20-10-11-21(3,4)5)16(17-14)15-8-7-9-18(15)2/h1,12,15H,7-11,13H2,2-5H3/t15-/m0/s1
InChIKeyBYHROFNOMWDPNY-HNNXBMFYSA-N
XLogP2.94
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 52.94
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58765592
2-[5-ethynyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 90987673
2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 156708312
1-methyl-N-[2-(1-methylpyrrolidin-2-yl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]indazole-5-carboxamide
CID 171474879
tert-butyl 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67201133
methyl N-[(2S)-1-[2-[4-(2-chloroquinolin-6-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 87306461
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
CID 168941227
4-(2-methoxyethyl)-3-(1-methylpyrrolidin-2-yl)-1,2,4-triazole
CID 110255440
benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate
CID 59509566
(2S)-2-[4-(2-chloroquinolin-6-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylic acid;methyl N-[(2S)-1-[(2S)-2-[4-(2-chloroquinolin-6-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 87195981
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 10559473

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 89094435) is 2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is C#Cc1cn(COCC[Si](C)(C)C)c([C@@H]2CCCN2C)n1.
What is the InChIKey of 2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BYHROFNOMWDPNY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3OSi/c1-6-14-12-19(13-20-10-11-21(3,4)5)16(17-14)15-8-7-9-18(15)2/h1,12,15H,7-11,13H2,2-5H3/t15-/m0/s1.
What are the key properties of 2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 305.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 89094435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).