5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one

C16H31N3O — CID 83270228

IUPAC5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one
SMILESCCCCC1NC(CC)N(CC(C)N2CCCC2)C1=O
InChIInChI=1S/C16H31N3O/c1-4-6-9-14-16(20)19(15(5-2)17-14)12-13(3)18-10-7-8-11-18/h13-15,17H,4-12H2,1-3H3
InChIKeyJOPZPRUVVAUMOH-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.20
Rot. Bonds7

About 5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one

5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one (PubChem CID 83270228) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one
PubChem CID83270228
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one
SMILESCCCCC1NC(CC)N(CC(C)N2CCCC2)C1=O
InChIInChI=1S/C16H31N3O/c1-4-6-9-14-16(20)19(15(5-2)17-14)12-13(3)18-10-7-8-11-18/h13-15,17H,4-12H2,1-3H3
InChIKeyJOPZPRUVVAUMOH-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-piperidin-1-ylpropyl)-2,5-dipropylimidazolidin-4-one
CID 83253294
5-butyl-2-ethyl-3-(1-piperidin-1-ylpropan-2-yl)imidazolidin-4-one
CID 83252669
5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254451
5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254350
2-ethyl-3-(2-piperidin-1-ylpropyl)imidazolidin-4-one
CID 83249426
2-ethyl-5-propyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260860
2-ethyl-3-(2-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253291
5-butyl-3-(2-cyclopentylethyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83246039
3-(2-methylpropyl)-2,5-dipropylimidazolidin-4-one
CID 83242304
2,5-dimethyl-3-(2-piperidin-1-ylpropyl)imidazolidin-4-one
CID 83248889
5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
CID 83237995
2,5-di(propan-2-yl)-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83270705

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one (CID 83270228) is 5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one is CCCCC1NC(CC)N(CC(C)N2CCCC2)C1=O.
What is the InChIKey of 5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
The InChIKey is JOPZPRUVVAUMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-6-9-14-16(20)19(15(5-2)17-14)12-13(3)18-10-7-8-11-18/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one has a molecular weight of 281.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83270228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).