tert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride

C18H35ClN4OSi — CID 157485787

IUPACtert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride
SMILESCc1nc[nH]c1C.Cc1ncn(CCO[Si](C)(C)C(C)(C)C)c1C.Cl
InChIInChI=1S/C13H26N2OSi.C5H8N2.ClH/c1-11-12(2)15(10-14-11)8-9-16-17(6,7)13(3,4)5;1-4-5(2)7-3-6-4;/h10H,8-9H2,1-7H3;3H,1-2H3,(H,6,7);1H
InChIKeyDXHDJZNWGYAIAN-UHFFFAOYSA-N
MW387.04 g/mol
LogP4.97
Rot. Bonds4

About tert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride

tert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride (PubChem CID 157485787) has the molecular formula C18H35ClN4OSi and a molecular weight of 387.04 g/mol. Its IUPAC name is tert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride.

Molecular Properties

Compound Nametert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride
PubChem CID157485787
Molecular FormulaC18H35ClN4OSi
Molecular Weight387.04 g/mol
Exact Mass386.23
IUPAC Nametert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride
SMILESCc1nc[nH]c1C.Cc1ncn(CCO[Si](C)(C)C(C)(C)C)c1C.Cl
InChIInChI=1S/C13H26N2OSi.C5H8N2.ClH/c1-11-12(2)15(10-14-11)8-9-16-17(6,7)13(3,4)5;1-4-5(2)7-3-6-4;/h10H,8-9H2,1-7H3;3H,1-2H3,(H,6,7);1H
InChIKeyDXHDJZNWGYAIAN-UHFFFAOYSA-N
XLogP4.97
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.04
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride?
The IUPAC name of tert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride (CID 157485787) is tert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride.
What is the SMILES notation for tert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride?
The canonical SMILES for tert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride is Cc1nc[nH]c1C.Cc1ncn(CCO[Si](C)(C)C(C)(C)C)c1C.Cl.
What is the InChIKey of tert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride?
The InChIKey is DXHDJZNWGYAIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OSi.C5H8N2.ClH/c1-11-12(2)15(10-14-11)8-9-16-17(6,7)13(3,4)5;1-4-5(2)7-3-6-4;/h10H,8-9H2,1-7H3;3H,1-2H3,(H,6,7);1H.
What are the key properties of tert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride?
tert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride has a molecular weight of 387.04 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(4,5-dimethylimidazol-1-yl)ethoxy]-dimethylsilane;4,5-dimethyl-1H-imidazole;hydrochloride is sourced from PubChem (CID 157485787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).