4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one

C13H19N3O2 — CID 5084184

IUPAC4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccccc2)C(C)(NO)C1(C)C
InChIInChI=1S/C13H19N3O2/c1-12(2)13(3,14-18)16(11(17)15(12)4)10-8-6-5-7-9-10/h5-9,14,18H,1-4H3
InChIKeyWINOGKPMCTWWGX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.03
Rot. Bonds2

About 4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one

4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one (PubChem CID 5084184) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one
PubChem CID5084184
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccccc2)C(C)(NO)C1(C)C
InChIInChI=1S/C13H19N3O2/c1-12(2)13(3,14-18)16(11(17)15(12)4)10-8-6-5-7-9-10/h5-9,14,18H,1-4H3
InChIKeyWINOGKPMCTWWGX-UHFFFAOYSA-N
XLogP2.03
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one?
The IUPAC name of 4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one (CID 5084184) is 4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one.
What is the SMILES notation for 4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one?
The canonical SMILES for 4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one is CN1C(=O)N(c2ccccc2)C(C)(NO)C1(C)C.
What is the InChIKey of 4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one?
The InChIKey is WINOGKPMCTWWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-12(2)13(3,14-18)16(11(17)15(12)4)10-8-6-5-7-9-10/h5-9,14,18H,1-4H3.
What are the key properties of 4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one?
4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one is sourced from PubChem (CID 5084184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).