(5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one

C14H19N3O2 — CID 13157338

IUPAC(5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one
SMILESCC(c1ccccc1)N1C(=O)N(C)C(C)(C)/C1=N\O
InChIInChI=1S/C14H19N3O2/c1-10(11-8-6-5-7-9-11)17-12(15-19)14(2,3)16(4)13(17)18/h5-10,19H,1-4H3/b15-12+
InChIKeyNONOLEOYMGPFTL-NTCAYCPXSA-N
MW261.32 g/mol
LogP2.68
Rot. Bonds2

About (5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one

(5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one (PubChem CID 13157338) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one
PubChem CID13157338
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one
SMILESCC(c1ccccc1)N1C(=O)N(C)C(C)(C)/C1=N\O
InChIInChI=1S/C14H19N3O2/c1-10(11-8-6-5-7-9-11)17-12(15-19)14(2,3)16(4)13(17)18/h5-10,19H,1-4H3/b15-12+
InChIKeyNONOLEOYMGPFTL-NTCAYCPXSA-N
XLogP2.68
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one?
The IUPAC name of (5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one (CID 13157338) is (5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one.
What is the SMILES notation for (5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one?
The canonical SMILES for (5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one is CC(c1ccccc1)N1C(=O)N(C)C(C)(C)/C1=N\O.
What is the InChIKey of (5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one?
The InChIKey is NONOLEOYMGPFTL-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(11-8-6-5-7-9-11)17-12(15-19)14(2,3)16(4)13(17)18/h5-10,19H,1-4H3/b15-12+.
What are the key properties of (5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one?
(5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one is sourced from PubChem (CID 13157338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).