5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one

C14H27N3O — CID 114137900

IUPAC5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC)C(=O)N1CC1CCCN1C
InChIInChI=1S/C14H27N3O/c1-4-7-13-15-12(5-2)14(18)17(13)10-11-8-6-9-16(11)3/h11-13,15H,4-10H2,1-3H3
InChIKeyLDEXYSPBUYWIRP-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.42
Rot. Bonds5

About 5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one

5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one (PubChem CID 114137900) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one
PubChem CID114137900
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC)C(=O)N1CC1CCCN1C
InChIInChI=1S/C14H27N3O/c1-4-7-13-15-12(5-2)14(18)17(13)10-11-8-6-9-16(11)3/h11-13,15H,4-10H2,1-3H3
InChIKeyLDEXYSPBUYWIRP-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83247451
2-cyclopentyl-5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one
CID 106021844
2-cyclopentyl-5-ethyl-3-[(1-methylpiperidin-2-yl)methyl]imidazolidin-4-one
CID 83246646
5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83244979
5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270759
3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83247955
3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one
CID 83256940
3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 106021786
5-ethyl-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248789
3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83263947
3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one
CID 107421422
5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 114137896

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one?
The IUPAC name of 5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one (CID 114137900) is 5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one is CCCC1NC(CC)C(=O)N1CC1CCCN1C.
What is the InChIKey of 5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one?
The InChIKey is LDEXYSPBUYWIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-7-13-15-12(5-2)14(18)17(13)10-11-8-6-9-16(11)3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one?
5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one has a molecular weight of 253.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one is sourced from PubChem (CID 114137900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).