4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one

C14H20N2O — CID 176750424

IUPAC4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one
SMILESCC(c1ccccc1)C1CN(C(C)C)C(=O)N1
InChIInChI=1S/C14H20N2O/c1-10(2)16-9-13(15-14(16)17)11(3)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,15,17)
InChIKeyJYSCVLGWHWCONX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.59
Rot. Bonds3

About 4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one

4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one (PubChem CID 176750424) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one
PubChem CID176750424
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one
SMILESCC(c1ccccc1)C1CN(C(C)C)C(=O)N1
InChIInChI=1S/C14H20N2O/c1-10(2)16-9-13(15-14(16)17)11(3)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,15,17)
InChIKeyJYSCVLGWHWCONX-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of 4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one (CID 176750424) is 4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one is CC(c1ccccc1)C1CN(C(C)C)C(=O)N1.
What is the InChIKey of 4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one?
The InChIKey is JYSCVLGWHWCONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)16-9-13(15-14(16)17)11(3)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,15,17).
What are the key properties of 4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one?
4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 176750424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).