2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one

C15H20F2N2O2 — CID 83233543

IUPAC2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one
SMILESCCOCCCN1C(=O)C(C)NC1c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-3-21-8-4-7-19-14(18-10(2)15(19)20)11-5-6-12(16)13(17)9-11/h5-6,9-10,14,18H,3-4,7-8H2,1-2H3
InChIKeyOKBHFNSVYICGMU-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.21
Rot. Bonds6

About 2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one

2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one (PubChem CID 83233543) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one
PubChem CID83233543
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one
SMILESCCOCCCN1C(=O)C(C)NC1c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-3-21-8-4-7-19-14(18-10(2)15(19)20)11-5-6-12(16)13(17)9-11/h5-6,9-10,14,18H,3-4,7-8H2,1-2H3
InChIKeyOKBHFNSVYICGMU-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.21
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 2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one (CID 83233543) is 2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one is CCOCCCN1C(=O)C(C)NC1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one?
The InChIKey is OKBHFNSVYICGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-3-21-8-4-7-19-14(18-10(2)15(19)20)11-5-6-12(16)13(17)9-11/h5-6,9-10,14,18H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one?
2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one has a molecular weight of 298.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83233543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).