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

C16H31N3O — CID 83254350

IUPAC5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(CC(C)CN2CCCC2)C1=O
InChIInChI=1S/C16H31N3O/c1-4-5-8-15-16(20)19(14(3)17-15)12-13(2)11-18-9-6-7-10-18/h13-15,17H,4-12H2,1-3H3
InChIKeyAMUPKRPQCWVPID-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.05
Rot. Bonds7

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

5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one (PubChem CID 83254350) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
PubChem CID83254350
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(CC(C)CN2CCCC2)C1=O
InChIInChI=1S/C16H31N3O/c1-4-5-8-15-16(20)19(14(3)17-15)12-13(2)11-18-9-6-7-10-18/h13-15,17H,4-12H2,1-3H3
InChIKeyAMUPKRPQCWVPID-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257798
5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one
CID 83259831
5-butyl-2-ethyl-3-(1-piperidin-1-ylpropan-2-yl)imidazolidin-4-one
CID 83252669
5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83250992
5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83270228
5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254451
5-ethyl-2-methyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254703
5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one
CID 83264217
5-butyl-2-methyl-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254553
2-methyl-3-(2-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83252090
5-butyl-3-[3-(dimethylamino)propyl]-2-methylimidazolidin-4-one
CID 83251042
5-ethyl-2,5-dimethyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254520

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one (CID 83254350) is 5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one is CCCCC1NC(C)N(CC(C)CN2CCCC2)C1=O.
What is the InChIKey of 5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
The InChIKey is AMUPKRPQCWVPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-5-8-15-16(20)19(14(3)17-15)12-13(2)11-18-9-6-7-10-18/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one?
5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one has a molecular weight of 281.44 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83254350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).