3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one

C15H22FN3O — CID 83255113

IUPAC3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCCN(C)CCN1C(=O)C(C)NC1c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-4-18(3)9-10-19-14(17-11(2)15(19)20)12-5-7-13(16)8-6-12/h5-8,11,14,17H,4,9-10H2,1-3H3
InChIKeyVHMOEFYBWHRXTA-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.60
Rot. Bonds5

About 3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one

3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one (PubChem CID 83255113) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
PubChem CID83255113
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCCN(C)CCN1C(=O)C(C)NC1c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-4-18(3)9-10-19-14(17-11(2)15(19)20)12-5-7-13(16)8-6-12/h5-8,11,14,17H,4,9-10H2,1-3H3
InChIKeyVHMOEFYBWHRXTA-UHFFFAOYSA-N
XLogP1.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one (CID 83255113) is 3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one is CCN(C)CCN1C(=O)C(C)NC1c1ccc(F)cc1.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one?
The InChIKey is VHMOEFYBWHRXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-4-18(3)9-10-19-14(17-11(2)15(19)20)12-5-7-13(16)8-6-12/h5-8,11,14,17H,4,9-10H2,1-3H3.
What are the key properties of 3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one?
3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one has a molecular weight of 279.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83255113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).