4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide

C18H35N3O2Si — CID 10316078

IUPAC4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCc1ncc(CO[Si](C)(C)C(C)(C)C)[nH]1
InChIInChI=1S/C18H35N3O2Si/c1-8-21(9-2)17(22)12-10-11-16-19-13-15(20-16)14-23-24(6,7)18(3,4)5/h13H,8-12,14H2,1-7H3,(H,19,20)
InChIKeyZMZJDUOAKOGGNE-UHFFFAOYSA-N
MW353.58 g/mol
LogP4.12
Rot. Bonds9

About 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide

4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide (PubChem CID 10316078) has the molecular formula C18H35N3O2Si and a molecular weight of 353.58 g/mol. Its IUPAC name is 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide
PubChem CID10316078
Molecular FormulaC18H35N3O2Si
Molecular Weight353.58 g/mol
Exact Mass353.25
IUPAC Name4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCc1ncc(CO[Si](C)(C)C(C)(C)C)[nH]1
InChIInChI=1S/C18H35N3O2Si/c1-8-21(9-2)17(22)12-10-11-16-19-13-15(20-16)14-23-24(6,7)18(3,4)5/h13H,8-12,14H2,1-7H3,(H,19,20)
InChIKeyZMZJDUOAKOGGNE-UHFFFAOYSA-N
XLogP4.12
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide?
The IUPAC name of 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide (CID 10316078) is 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide.
What is the SMILES notation for 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide?
The canonical SMILES for 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide is CCN(CC)C(=O)CCCc1ncc(CO[Si](C)(C)C(C)(C)C)[nH]1.
What is the InChIKey of 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide?
The InChIKey is ZMZJDUOAKOGGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2Si/c1-8-21(9-2)17(22)12-10-11-16-19-13-15(20-16)14-23-24(6,7)18(3,4)5/h13H,8-12,14H2,1-7H3,(H,19,20).
What are the key properties of 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide?
4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide has a molecular weight of 353.58 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-N,N-diethylbutanamide is sourced from PubChem (CID 10316078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).