5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one

C14H27N3O — CID 83253941

IUPAC5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CCN2CCCC2)C1=O
InChIInChI=1S/C14H27N3O/c1-4-11(2)13-14(18)17(12(3)15-13)10-9-16-7-5-6-8-16/h11-13,15H,4-10H2,1-3H3
InChIKeyDDNFJGQOOXYTGR-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.27
Rot. Bonds5

About 5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one

5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one (PubChem CID 83253941) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
PubChem CID83253941
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CCN2CCCC2)C1=O
InChIInChI=1S/C14H27N3O/c1-4-11(2)13-14(18)17(12(3)15-13)10-9-16-7-5-6-8-16/h11-13,15H,4-10H2,1-3H3
InChIKeyDDNFJGQOOXYTGR-UHFFFAOYSA-N
XLogP1.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250695
5-butan-2-yl-2-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83249654
5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one
CID 83239751
5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259869
5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244982
5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327137
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
CID 83259137
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylcyclopropyl)methyl]imidazolidin-4-one
CID 114115041
5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264986
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83255699
5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83250080
5-ethyl-2-methyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254703

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one (CID 83253941) is 5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one is CCC(C)C1NC(C)N(CCN2CCCC2)C1=O.
What is the InChIKey of 5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
The InChIKey is DDNFJGQOOXYTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-11(2)13-14(18)17(12(3)15-13)10-9-16-7-5-6-8-16/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one has a molecular weight of 253.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one is sourced from PubChem (CID 83253941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).