5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one

C16H23N3O — CID 83249113

IUPAC5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one
SMILESCC(CN1CCCC1)N1CNC(c2ccccc2)C1=O
InChIInChI=1S/C16H23N3O/c1-13(11-18-9-5-6-10-18)19-12-17-15(16(19)20)14-7-3-2-4-8-14/h2-4,7-8,13,15,17H,5-6,9-12H2,1H3
InChIKeyINLJOCUDRPTFTM-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.60
Rot. Bonds4

About 5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one

5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one (PubChem CID 83249113) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one
PubChem CID83249113
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one
SMILESCC(CN1CCCC1)N1CNC(c2ccccc2)C1=O
InChIInChI=1S/C16H23N3O/c1-13(11-18-9-5-6-10-18)19-12-17-15(16(19)20)14-7-3-2-4-8-14/h2-4,7-8,13,15,17H,5-6,9-12H2,1H3
InChIKeyINLJOCUDRPTFTM-UHFFFAOYSA-N
XLogP1.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one
CID 83253471
3-pentan-2-yl-5-phenylimidazolidin-4-one
CID 83239900
3-[1-(diethylamino)propan-2-yl]-5-phenylimidazolidin-4-one
CID 83249374
3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one
CID 113478436
3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one
CID 83258403
3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one
CID 83263461
1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64960044
2-phenyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83270706
3-(2-methoxy-2-methylpropyl)-5-phenylimidazolidin-4-one
CID 113451090
3-butyl-5-phenylimidazolidin-4-one
CID 83238128
3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64883939
3-(cyclobutylmethyl)-5-phenylimidazolidin-4-one
CID 83244563

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one?
The IUPAC name of 5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one (CID 83249113) is 5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one is CC(CN1CCCC1)N1CNC(c2ccccc2)C1=O.
What is the InChIKey of 5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one?
The InChIKey is INLJOCUDRPTFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(11-18-9-5-6-10-18)19-12-17-15(16(19)20)14-7-3-2-4-8-14/h2-4,7-8,13,15,17H,5-6,9-12H2,1H3.
What are the key properties of 5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one?
5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one has a molecular weight of 273.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83249113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).