5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one

C17H26N2O2 — CID 83232217

IUPAC5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
SMILESCCOCCCN1C(=O)C(Cc2ccccc2)NC1CC
InChIInChI=1S/C17H26N2O2/c1-3-16-18-15(13-14-9-6-5-7-10-14)17(20)19(16)11-8-12-21-4-2/h5-7,9-10,15-16,18H,3-4,8,11-13H2,1-2H3
InChIKeyZNOVBOODCLLYIY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.19
Rot. Bonds8

About 5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one

5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one (PubChem CID 83232217) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
PubChem CID83232217
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
SMILESCCOCCCN1C(=O)C(Cc2ccccc2)NC1CC
InChIInChI=1S/C17H26N2O2/c1-3-16-18-15(13-14-9-6-5-7-10-14)17(20)19(16)11-8-12-21-4-2/h5-7,9-10,15-16,18H,3-4,8,11-13H2,1-2H3
InChIKeyZNOVBOODCLLYIY-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one?
The IUPAC name of 5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one (CID 83232217) is 5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one is CCOCCCN1C(=O)C(Cc2ccccc2)NC1CC.
What is the InChIKey of 5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one?
The InChIKey is ZNOVBOODCLLYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-16-18-15(13-14-9-6-5-7-10-14)17(20)19(16)11-8-12-21-4-2/h5-7,9-10,15-16,18H,3-4,8,11-13H2,1-2H3.
What are the key properties of 5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one?
5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one is sourced from PubChem (CID 83232217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).