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

C17H33N3O — CID 83244959

IUPAC5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one
SMILESCCCCC1NC(C(C)C)N(CC2CCCN2CC)C1=O
InChIInChI=1S/C17H33N3O/c1-5-7-10-15-17(21)20(16(18-15)13(3)4)12-14-9-8-11-19(14)6-2/h13-16,18H,5-12H2,1-4H3
InChIKeyVTXPBQKQXNFNIY-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.44
Rot. Bonds7

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

5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one (PubChem CID 83244959) 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-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one
PubChem CID83244959
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one
SMILESCCCCC1NC(C(C)C)N(CC2CCCN2CC)C1=O
InChIInChI=1S/C17H33N3O/c1-5-7-10-15-17(21)20(16(18-15)13(3)4)12-14-9-8-11-19(14)6-2/h13-16,18H,5-12H2,1-4H3
InChIKeyVTXPBQKQXNFNIY-UHFFFAOYSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83244979
5-butyl-3-(cyclobutylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244060
3-(cyclobutylmethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83243576
3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83248207
3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83252942
2-cyclopentyl-5-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]imidazolidin-4-one
CID 83244965
5-butyl-3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
CID 83244477
5-butyl-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767679
5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83269097
5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83253856
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-propylimidazolidin-4-one
CID 83251625
3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 102915982

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one (CID 83244959) is 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one is CCCCC1NC(C(C)C)N(CC2CCCN2CC)C1=O.
What is the InChIKey of 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one?
The InChIKey is VTXPBQKQXNFNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-7-10-15-17(21)20(16(18-15)13(3)4)12-14-9-8-11-19(14)6-2/h13-16,18H,5-12H2,1-4H3.
What are the key properties of 5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one?
5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one has a molecular weight of 295.47 g/mol, XLogP of 2.44, 7 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-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83244959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).