2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane

C15H22N2O3SSi — CID 58868338

IUPAC2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane
SMILESCO[Si](CCc1ccc(CSc2ncc[nH]2)cc1)(OC)OC
InChIInChI=1S/C15H22N2O3SSi/c1-18-22(19-2,20-3)11-8-13-4-6-14(7-5-13)12-21-15-16-9-10-17-15/h4-7,9-10H,8,11-12H2,1-3H3,(H,16,17)
InChIKeyGZPPSVCLWKPVOX-UHFFFAOYSA-N
MW338.51 g/mol
LogP3.12
Rot. Bonds9

About 2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane

2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane (PubChem CID 58868338) has the molecular formula C15H22N2O3SSi and a molecular weight of 338.51 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane
PubChem CID58868338
Molecular FormulaC15H22N2O3SSi
Molecular Weight338.51 g/mol
Exact Mass338.11
IUPAC Name2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane
SMILESCO[Si](CCc1ccc(CSc2ncc[nH]2)cc1)(OC)OC
InChIInChI=1S/C15H22N2O3SSi/c1-18-22(19-2,20-3)11-8-13-4-6-14(7-5-13)12-21-15-16-9-10-17-15/h4-7,9-10H,8,11-12H2,1-3H3,(H,16,17)
InChIKeyGZPPSVCLWKPVOX-UHFFFAOYSA-N
XLogP3.12
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole
CID 140963022
N-[[3-(1H-imidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 107783917
N'-hydroxy-4-(1H-imidazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107780293
2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine
CID 122142925
2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline
CID 107779694
2-(4-tert-butylphenyl)ethyl-trimethoxysilane
CID 139668437
2-(1H-imidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
CID 103705488
[bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol
CID 123655126
[4-(2-trimethoxysilylethyl)phenyl]methyl benzenecarbodithioate
CID 59524532
4-[(1H-imidazol-2-yldisulfanyl)methyl]benzoic acid
CID 10171532
2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 130608073
4-(1H-imidazol-2-ylsulfanyl)butan-1-ol
CID 107780906

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane?
The IUPAC name of 2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane (CID 58868338) is 2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane.
What is the SMILES notation for 2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane?
The canonical SMILES for 2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane is CO[Si](CCc1ccc(CSc2ncc[nH]2)cc1)(OC)OC.
What is the InChIKey of 2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane?
The InChIKey is GZPPSVCLWKPVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3SSi/c1-18-22(19-2,20-3)11-8-13-4-6-14(7-5-13)12-21-15-16-9-10-17-15/h4-7,9-10H,8,11-12H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane?
2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane has a molecular weight of 338.51 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane is sourced from PubChem (CID 58868338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).