2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one

C15H21FN2O3 — CID 83246247

IUPAC2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one
SMILESCOCCCN1C(=O)C(C)NC1c1ccc(OC)c(F)c1
InChIInChI=1S/C15H21FN2O3/c1-10-15(19)18(7-4-8-20-2)14(17-10)11-5-6-13(21-3)12(16)9-11/h5-6,9-10,14,17H,4,7-8H2,1-3H3
InChIKeyDMPDJNGJGDQPIY-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.69
Rot. Bonds6

About 2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one

2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one (PubChem CID 83246247) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one
PubChem CID83246247
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one
SMILESCOCCCN1C(=O)C(C)NC1c1ccc(OC)c(F)c1
InChIInChI=1S/C15H21FN2O3/c1-10-15(19)18(7-4-8-20-2)14(17-10)11-5-6-13(21-3)12(16)9-11/h5-6,9-10,14,17H,4,7-8H2,1-3H3
InChIKeyDMPDJNGJGDQPIY-UHFFFAOYSA-N
XLogP1.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one (CID 83246247) is 2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one is COCCCN1C(=O)C(C)NC1c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one?
The InChIKey is DMPDJNGJGDQPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10-15(19)18(7-4-8-20-2)14(17-10)11-5-6-13(21-3)12(16)9-11/h5-6,9-10,14,17H,4,7-8H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one?
2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one has a molecular weight of 296.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83246247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).