2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one

C13H18N2O — CID 115282036

IUPAC2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one
SMILESCCN1C(=O)CNC1c1cc(C)ccc1C
InChIInChI=1S/C13H18N2O/c1-4-15-12(16)8-14-13(15)11-7-9(2)5-6-10(11)3/h5-7,13-14H,4,8H2,1-3H3
InChIKeyYAELAXXFGJEIFQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.75
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one

2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one (PubChem CID 115282036) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one
PubChem CID115282036
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one
SMILESCCN1C(=O)CNC1c1cc(C)ccc1C
InChIInChI=1S/C13H18N2O/c1-4-15-12(16)8-14-13(15)11-7-9(2)5-6-10(11)3/h5-7,13-14H,4,8H2,1-3H3
InChIKeyYAELAXXFGJEIFQ-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one (CID 115282036) is 2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one is CCN1C(=O)CNC1c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one?
The InChIKey is YAELAXXFGJEIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-15-12(16)8-14-13(15)11-7-9(2)5-6-10(11)3/h5-7,13-14H,4,8H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one?
2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one has a molecular weight of 218.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one is sourced from PubChem (CID 115282036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).