5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione

C13H14F2N2O2 — CID 24523455

IUPAC5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)NC(C)(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-3-6-17-11(18)13(2,16-12(17)19)8-4-5-9(14)10(15)7-8/h4-5,7H,3,6H2,1-2H3,(H,16,19)
InChIKeyKKZWGCJOTBTUEM-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.14
Rot. Bonds3

About 5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione

5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione (PubChem CID 24523455) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione
PubChem CID24523455
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)NC(C)(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-3-6-17-11(18)13(2,16-12(17)19)8-4-5-9(14)10(15)7-8/h4-5,7H,3,6H2,1-2H3,(H,16,19)
InChIKeyKKZWGCJOTBTUEM-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 92799825
5-(3,4-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529191
2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide
CID 41075308
4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 46641129
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46641069
5-(3,4-difluorophenyl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 24523461
4-[(4S)-4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl]benzonitrile
CID 40972073
5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
CID 46640786
5-(3,4-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 16570909
N-(5-chloro-2-pyridinyl)-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51935140
N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 55375107

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione?
The IUPAC name of 5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione (CID 24523455) is 5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione is CCCN1C(=O)NC(C)(c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione?
The InChIKey is KKZWGCJOTBTUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-3-6-17-11(18)13(2,16-12(17)19)8-4-5-9(14)10(15)7-8/h4-5,7H,3,6H2,1-2H3,(H,16,19).
What are the key properties of 5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione?
5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione has a molecular weight of 268.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 24523455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).