2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one

C13H16F2N2O — CID 83260491

IUPAC2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2ccc(F)c(F)c2)N(C)C1=O
InChIInChI=1S/C13H16F2N2O/c1-7(2)11-13(18)17(3)12(16-11)8-4-5-9(14)10(15)6-8/h4-7,11-12,16H,1-3H3
InChIKeyBSDRXDYRVZAOTN-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.05
Rot. Bonds2

About 2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one

2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one (PubChem CID 83260491) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one
PubChem CID83260491
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2ccc(F)c(F)c2)N(C)C1=O
InChIInChI=1S/C13H16F2N2O/c1-7(2)11-13(18)17(3)12(16-11)8-4-5-9(14)10(15)6-8/h4-7,11-12,16H,1-3H3
InChIKeyBSDRXDYRVZAOTN-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83260322
3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83238687
3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83244666
2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 115282292
2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one
CID 83242425
2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one
CID 83241892
5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83267734
2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
CID 83250579
2-(4-chlorophenyl)-3-(2-methoxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83242547
2-(3-fluorophenyl)-3-(2-methoxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83242956
3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83232224
3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one
CID 83259017

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one (CID 83260491) is 2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one is CC(C)C1NC(c2ccc(F)c(F)c2)N(C)C1=O.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one?
The InChIKey is BSDRXDYRVZAOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-7(2)11-13(18)17(3)12(16-11)8-4-5-9(14)10(15)6-8/h4-7,11-12,16H,1-3H3.
What are the key properties of 2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one?
2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one has a molecular weight of 254.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83260491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).