5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one

C17H33N3O — CID 83244979

IUPAC5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one
SMILESCCCCC1NC(CCC)N(CC2CCCN2CC)C1=O
InChIInChI=1S/C17H33N3O/c1-4-7-11-15-17(21)20(16(18-15)9-5-2)13-14-10-8-12-19(14)6-3/h14-16,18H,4-13H2,1-3H3
InChIKeyYMZPTIZVYNYNKG-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.59
Rot. Bonds8

About 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one

5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one (PubChem CID 83244979) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one
PubChem CID83244979
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one
SMILESCCCCC1NC(CCC)N(CC2CCCN2CC)C1=O
InChIInChI=1S/C17H33N3O/c1-4-7-11-15-17(21)20(16(18-15)9-5-2)13-14-10-8-12-19(14)6-3/h14-16,18H,4-13H2,1-3H3
InChIKeyYMZPTIZVYNYNKG-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one (CID 83244979) is 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one is CCCCC1NC(CCC)N(CC2CCCN2CC)C1=O.
What is the InChIKey of 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one?
The InChIKey is YMZPTIZVYNYNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-7-11-15-17(21)20(16(18-15)9-5-2)13-14-10-8-12-19(14)6-3/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one?
5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one has a molecular weight of 295.47 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one is sourced from PubChem (CID 83244979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).