trimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane

C21H30N2OSSi — CID 53359482

IUPACtrimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane
SMILESC=C1CCCC1c1cnc(Sc2ccccc2)n1COCC[Si](C)(C)C
InChIInChI=1S/C21H30N2OSSi/c1-17-9-8-12-19(17)20-15-22-21(25-18-10-6-5-7-11-18)23(20)16-24-13-14-26(2,3)4/h5-7,10-11,15,19H,1,8-9,12-14,16H2,2-4H3
InChIKeyRRZIKWKVAHPHAL-UHFFFAOYSA-N
MW386.64 g/mol
LogP6.17
Rot. Bonds8

About trimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane (PubChem CID 53359482) has the molecular formula C21H30N2OSSi and a molecular weight of 386.64 g/mol. Its IUPAC name is trimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane
PubChem CID53359482
Molecular FormulaC21H30N2OSSi
Molecular Weight386.64 g/mol
Exact Mass386.18
IUPAC Nametrimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane
SMILESC=C1CCCC1c1cnc(Sc2ccccc2)n1COCC[Si](C)(C)C
InChIInChI=1S/C21H30N2OSSi/c1-17-9-8-12-19(17)20-15-22-21(25-18-10-6-5-7-11-18)23(20)16-24-13-14-26(2,3)4/h5-7,10-11,15,19H,1,8-9,12-14,16H2,2-4H3
InChIKeyRRZIKWKVAHPHAL-UHFFFAOYSA-N
XLogP6.17
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.64
LogP ≤ 56.17
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane
CID 101419390
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368
2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 141389098
benzenethiol;2-[(3-bromo-5-phenylsulfanyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 158795627
5-phenylsulfanyl-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonitrile
CID 135066496
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
CID 174068018
4,5-dibromo-N-[3-[3-(dimethylsulfamoyl)-2-phenylsulfanylimidazol-4-yl]propyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide
CID 23650304
2-[(4-cyclohexylpyrido[3,4-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 10571849
N-[3-(2-phenylsulfanyl-1H-imidazol-5-yl)propyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide
CID 23652391
5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 131747900

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane (CID 53359482) is trimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane is C=C1CCCC1c1cnc(Sc2ccccc2)n1COCC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is RRZIKWKVAHPHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2OSSi/c1-17-9-8-12-19(17)20-15-22-21(25-18-10-6-5-7-11-18)23(20)16-24-13-14-26(2,3)4/h5-7,10-11,15,19H,1,8-9,12-14,16H2,2-4H3.
What are the key properties of trimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 386.64 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-(2-methylidenecyclopentyl)-2-phenylsulfanylimidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 53359482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).