5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one

C13H25N3O — CID 83253267

IUPAC5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
SMILESCC(C)CC1NCN(CCN2CCCC2)C1=O
InChIInChI=1S/C13H25N3O/c1-11(2)9-12-13(17)16(10-14-12)8-7-15-5-3-4-6-15/h11-12,14H,3-10H2,1-2H3
InChIKeyBQBXTPCJHCDYRS-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.89
Rot. Bonds5

About 5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one

5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one (PubChem CID 83253267) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
PubChem CID83253267
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
SMILESCC(C)CC1NCN(CCN2CCCC2)C1=O
InChIInChI=1S/C13H25N3O/c1-11(2)9-12-13(17)16(10-14-12)8-7-15-5-3-4-6-15/h11-12,14H,3-10H2,1-2H3
InChIKeyBQBXTPCJHCDYRS-UHFFFAOYSA-N
XLogP0.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83238290
5-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257953
5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83258955
3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83257472
3-[2-(dimethylamino)-2-methylpropyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83253023
3-(2-methoxy-2-methylpropyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 104767754
3-[(1,1-dioxothiolan-2-yl)methyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83270602
5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327103
3-[(2-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83270720
3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83270786
3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 114125253
5-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242760

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
The IUPAC name of 5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one (CID 83253267) is 5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one.
What is the SMILES notation for 5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
The canonical SMILES for 5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one is CC(C)CC1NCN(CCN2CCCC2)C1=O.
What is the InChIKey of 5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
The InChIKey is BQBXTPCJHCDYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)9-12-13(17)16(10-14-12)8-7-15-5-3-4-6-15/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one has a molecular weight of 239.36 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one is sourced from PubChem (CID 83253267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).