3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one

C16H22N2O2 — CID 83271007

IUPAC3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2ccccc2)N(C2CCOC2)C1=O
InChIInChI=1S/C16H22N2O2/c1-11(2)14-16(19)18(13-8-9-20-10-13)15(17-14)12-6-4-3-5-7-12/h3-7,11,13-15,17H,8-10H2,1-2H3
InChIKeyJBMKSKFQQPJOEY-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.93
Rot. Bonds3

About 3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one

3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one (PubChem CID 83271007) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
PubChem CID83271007
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2ccccc2)N(C2CCOC2)C1=O
InChIInChI=1S/C16H22N2O2/c1-11(2)14-16(19)18(13-8-9-20-10-13)15(17-14)12-6-4-3-5-7-12/h3-7,11,13-15,17H,8-10H2,1-2H3
InChIKeyJBMKSKFQQPJOEY-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83246962
6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873851
6-cyclopropyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873601
2-(3-chlorophenyl)-3-cyclopentyl-5-propan-2-ylimidazolidin-4-one
CID 83245897
2-(3-methoxyphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270932
5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83267221
3-(cyclobutylmethyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83244568
5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270215
3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83242661
3-cyclopropyl-2,5-diphenylimidazolidin-4-one
CID 83244660
3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83263063
3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242357

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one (CID 83271007) is 3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one is CC(C)C1NC(c2ccccc2)N(C2CCOC2)C1=O.
What is the InChIKey of 3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one?
The InChIKey is JBMKSKFQQPJOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)14-16(19)18(13-8-9-20-10-13)15(17-14)12-6-4-3-5-7-12/h3-7,11,13-15,17H,8-10H2,1-2H3.
What are the key properties of 3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one?
3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one has a molecular weight of 274.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83271007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).