3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one

C15H18F2N2O2 — CID 83268492

IUPAC3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one
SMILESC=CCOc1ccc(C2NC(C)C(=O)N2CC(F)F)cc1
InChIInChI=1S/C15H18F2N2O2/c1-3-8-21-12-6-4-11(5-7-12)14-18-10(2)15(20)19(14)9-13(16)17/h3-7,10,13-14,18H,1,8-9H2,2H3
InChIKeyWYQYPXANYMASOX-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.34
Rot. Bonds6

About 3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one

3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one (PubChem CID 83268492) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one
PubChem CID83268492
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one
SMILESC=CCOc1ccc(C2NC(C)C(=O)N2CC(F)F)cc1
InChIInChI=1S/C15H18F2N2O2/c1-3-8-21-12-6-4-11(5-7-12)14-18-10(2)15(20)19(14)9-13(16)17/h3-7,10,13-14,18H,1,8-9H2,2H3
InChIKeyWYQYPXANYMASOX-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one?
The IUPAC name of 3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one (CID 83268492) is 3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one is C=CCOc1ccc(C2NC(C)C(=O)N2CC(F)F)cc1.
What is the InChIKey of 3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one?
The InChIKey is WYQYPXANYMASOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-3-8-21-12-6-4-11(5-7-12)14-18-10(2)15(20)19(14)9-13(16)17/h3-7,10,13-14,18H,1,8-9H2,2H3.
What are the key properties of 3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one?
3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one has a molecular weight of 296.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one is sourced from PubChem (CID 83268492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).