2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one

C16H24N2O — CID 83260212

IUPAC2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
SMILESCC(CN1C(=O)CNC1c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H24N2O/c1-12(16(2,3)4)11-18-14(19)10-17-15(18)13-8-6-5-7-9-13/h5-9,12,15,17H,10-11H2,1-4H3
InChIKeyATUQXYOXPUJVDV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.80
Rot. Bonds3

About 2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one

2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one (PubChem CID 83260212) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
PubChem CID83260212
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
SMILESCC(CN1C(=O)CNC1c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H24N2O/c1-12(16(2,3)4)11-18-14(19)10-17-15(18)13-8-6-5-7-9-13/h5-9,12,15,17H,10-11H2,1-4H3
InChIKeyATUQXYOXPUJVDV-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one?
The IUPAC name of 2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one (CID 83260212) is 2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one.
What is the SMILES notation for 2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one?
The canonical SMILES for 2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one is CC(CN1C(=O)CNC1c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one?
The InChIKey is ATUQXYOXPUJVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(16(2,3)4)11-18-14(19)10-17-15(18)13-8-6-5-7-9-13/h5-9,12,15,17H,10-11H2,1-4H3.
What are the key properties of 2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one?
2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one has a molecular weight of 260.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one is sourced from PubChem (CID 83260212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).