3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one

C15H18F2N2O — CID 83259017

IUPAC3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccc(F)c(F)c2)N(CCC2CC2)C1=O
InChIInChI=1S/C15H18F2N2O/c1-9-15(20)19(7-6-10-2-3-10)14(18-9)11-4-5-12(16)13(17)8-11/h4-5,8-10,14,18H,2-3,6-7H2,1H3
InChIKeyNZRGIDOYBUZRDC-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.58
Rot. Bonds4

About 3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one

3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one (PubChem CID 83259017) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one
PubChem CID83259017
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccc(F)c(F)c2)N(CCC2CC2)C1=O
InChIInChI=1S/C15H18F2N2O/c1-9-15(20)19(7-6-10-2-3-10)14(18-9)11-4-5-12(16)13(17)8-11/h4-5,8-10,14,18H,2-3,6-7H2,1H3
InChIKeyNZRGIDOYBUZRDC-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
CID 83250579
2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one
CID 83233543
2-(3,4-difluorophenyl)-3-[2-[ethyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one
CID 83253778
2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one
CID 83245722
2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
CID 83252608
3-(2-cyclopropylethyl)-5-ethyl-2-(4-fluorophenyl)imidazolidin-4-one
CID 83258448
2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one
CID 83241892
2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282121
5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 114517110
2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one
CID 83247502
2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one
CID 83246247
2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
CID 83244083

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one (CID 83259017) is 3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one is CC1NC(c2ccc(F)c(F)c2)N(CCC2CC2)C1=O.
What is the InChIKey of 3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one?
The InChIKey is NZRGIDOYBUZRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-9-15(20)19(7-6-10-2-3-10)14(18-9)11-4-5-12(16)13(17)8-11/h4-5,8-10,14,18H,2-3,6-7H2,1H3.
What are the key properties of 3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one?
3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one has a molecular weight of 280.32 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 3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83259017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).