(NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine

C28H41N3O3Si2 — CID 136619374

IUPAC(NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ncc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)n1COCC[Si](C)(C)C
InChIInChI=1S/C28H41N3O3Si2/c1-23(30-32)27-29-20-24(31(27)22-33-18-19-35(5,6)7)21-34-36(28(2,3)4,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,20,32H,18-19,21-22H2,1-7H3/b30-23+
InChIKeyRJSXRBKHFXSBJJ-JJKYIXSRSA-N
MW523.83 g/mol
LogP5.47
Rot. Bonds11

About (NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine

(NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine (PubChem CID 136619374) has the molecular formula C28H41N3O3Si2 and a molecular weight of 523.83 g/mol. Its IUPAC name is (NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine
PubChem CID136619374
Molecular FormulaC28H41N3O3Si2
Molecular Weight523.83 g/mol
Exact Mass523.27
IUPAC Name(NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ncc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)n1COCC[Si](C)(C)C
InChIInChI=1S/C28H41N3O3Si2/c1-23(30-32)27-29-20-24(31(27)22-33-18-19-35(5,6)7)21-34-36(28(2,3)4,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,20,32H,18-19,21-22H2,1-7H3/b30-23+
InChIKeyRJSXRBKHFXSBJJ-JJKYIXSRSA-N
XLogP5.47
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.83
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine (CID 136619374) is (NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine is C/C(=N\O)c1ncc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)n1COCC[Si](C)(C)C.
What is the InChIKey of (NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine?
The InChIKey is RJSXRBKHFXSBJJ-JJKYIXSRSA-N. The full InChI is InChI=1S/C28H41N3O3Si2/c1-23(30-32)27-29-20-24(31(27)22-33-18-19-35(5,6)7)21-34-36(28(2,3)4,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,20,32H,18-19,21-22H2,1-7H3/b30-23+.
What are the key properties of (NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine?
(NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine has a molecular weight of 523.83 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 136619374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).