2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one

C14H18F2N2O — CID 83241892

IUPAC2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(CC)NC1c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O/c1-3-7-18-13(17-12(4-2)14(18)19)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,3-4,7H2,1-2H3
InChIKeyCVXSNQOMEOFOPO-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.58
Rot. Bonds4

About 2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one

2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one (PubChem CID 83241892) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one
PubChem CID83241892
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(CC)NC1c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O/c1-3-7-18-13(17-12(4-2)14(18)19)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,3-4,7H2,1-2H3
InChIKeyCVXSNQOMEOFOPO-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one?
The IUPAC name of 2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one (CID 83241892) is 2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one is CCCN1C(=O)C(CC)NC1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one?
The InChIKey is CVXSNQOMEOFOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-3-7-18-13(17-12(4-2)14(18)19)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,3-4,7H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one?
2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one has a molecular weight of 268.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one is sourced from PubChem (CID 83241892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).