tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane

C13H23N3OSi — CID 20728224

IUPACtert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane
SMILES[C-]#[N+]CCn1cncc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23N3OSi/c1-13(2,3)18(5,6)17-10-12-9-15-11-16(12)8-7-14-4/h9,11H,7-8,10H2,1-3,5-6H3
InChIKeyBIBMAFLSHFBWGO-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.32
Rot. Bonds5

About tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane

tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane (PubChem CID 20728224) has the molecular formula C13H23N3OSi and a molecular weight of 265.43 g/mol. Its IUPAC name is tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane
PubChem CID20728224
Molecular FormulaC13H23N3OSi
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Nametert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane
SMILES[C-]#[N+]CCn1cncc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23N3OSi/c1-13(2,3)18(5,6)17-10-12-9-15-11-16(12)8-7-14-4/h9,11H,7-8,10H2,1-3,5-6H3
InChIKeyBIBMAFLSHFBWGO-UHFFFAOYSA-N
XLogP3.32
TPSA31.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane
CID 14410060
N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66148632
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712244
tert-butyl-[(7-iodoimidazo[5,1-b][1,3]thiazol-3-yl)methoxy]-dimethylsilane
CID 22631614
tert-butyl-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-dimethylsilane
CID 69188963
tert-butyl-[(2-chloropyrimidin-5-yl)methoxy]-dimethylsilane
CID 140802501
3-[(3-propylimidazol-4-yl)methoxy]propan-1-amine
CID 106938080
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol
CID 151797335
3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine
CID 20728226
2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147964
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114541567

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane (CID 20728224) is tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane is [C-]#[N+]CCn1cncc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane?
The InChIKey is BIBMAFLSHFBWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OSi/c1-13(2,3)18(5,6)17-10-12-9-15-11-16(12)8-7-14-4/h9,11H,7-8,10H2,1-3,5-6H3.
What are the key properties of tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane has a molecular weight of 265.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-(2-isocyanoethyl)imidazol-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 20728224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).