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

C16H31N3O — CID 83254451

IUPAC5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
SMILESCCCCC1NC(CC)N(CCCN2CCCC2)C1=O
InChIInChI=1S/C16H31N3O/c1-3-5-9-14-16(20)19(15(4-2)17-14)13-8-12-18-10-6-7-11-18/h14-15,17H,3-13H2,1-2H3
InChIKeyOLRVBOTXPLHEFD-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.20
Rot. Bonds8

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

5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one (PubChem CID 83254451) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
PubChem CID83254451
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
SMILESCCCCC1NC(CC)N(CCCN2CCCC2)C1=O
InChIInChI=1S/C16H31N3O/c1-3-5-9-14-16(20)19(15(4-2)17-14)13-8-12-18-10-6-7-11-18/h14-15,17H,3-13H2,1-2H3
InChIKeyOLRVBOTXPLHEFD-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

2-(2-methylpropyl)-5-propyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83249859
3-(2-piperidin-1-ylethyl)-2,5-dipropylimidazolidin-4-one
CID 83244837
5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
CID 83237995
5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83270228
5-ethyl-2-methyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254703
5-butyl-3-(3-cyclopentylpropyl)-2-propylimidazolidin-4-one
CID 106011295
5-butyl-2-ethyl-3-(1-piperidin-1-ylpropan-2-yl)imidazolidin-4-one
CID 83252669
3-pentyl-2,5-dipropylimidazolidin-4-one
CID 83250379
5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one
CID 83243884
2,5-diethyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250866
5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254350
2-ethyl-5-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260834

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one (CID 83254451) is 5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one is CCCCC1NC(CC)N(CCCN2CCCC2)C1=O.
What is the InChIKey of 5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
The InChIKey is OLRVBOTXPLHEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-5-9-14-16(20)19(15(4-2)17-14)13-8-12-18-10-6-7-11-18/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one has a molecular weight of 281.44 g/mol, XLogP of 2.20, 8 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-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83254451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).