5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one

C17H24N2O2 — CID 83253136

IUPAC5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
SMILESCC1NC(Cc2ccccc2)C(=O)N1CCC1CCCO1
InChIInChI=1S/C17H24N2O2/c1-13-18-16(12-14-6-3-2-4-7-14)17(20)19(13)10-9-15-8-5-11-21-15/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3
InChIKeyJZYVVIFARFVHME-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.94
Rot. Bonds5

About 5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one

5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one (PubChem CID 83253136) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
PubChem CID83253136
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
SMILESCC1NC(Cc2ccccc2)C(=O)N1CCC1CCCO1
InChIInChI=1S/C17H24N2O2/c1-13-18-16(12-14-6-3-2-4-7-14)17(20)19(13)10-9-15-8-5-11-21-15/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3
InChIKeyJZYVVIFARFVHME-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249315
5-benzyl-3-hexyl-2-methylimidazolidin-4-one
CID 83263610
5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one
CID 83270412
5-ethyl-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248789
5-benzyl-2-methyl-3-(2-methyloxolan-3-yl)imidazolidin-4-one
CID 83260373
5-benzyl-3-(2-cyclopropylethyl)-2-propylimidazolidin-4-one
CID 83268843
5-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248880
3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64967006
5-benzyl-3-(dicyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83252653
5-methyl-3-[2-(oxolan-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 86806014
(5R)-5-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 99827374
5-benzyl-2-methyl-3-(2-methylcyclopropyl)imidazolidin-4-one
CID 83254666

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one?
The IUPAC name of 5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one (CID 83253136) is 5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one.
What is the SMILES notation for 5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one?
The canonical SMILES for 5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one is CC1NC(Cc2ccccc2)C(=O)N1CCC1CCCO1.
What is the InChIKey of 5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one?
The InChIKey is JZYVVIFARFVHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-18-16(12-14-6-3-2-4-7-14)17(20)19(13)10-9-15-8-5-11-21-15/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3.
What are the key properties of 5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one?
5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one has a molecular weight of 288.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83253136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).