5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

C21H21F3N2O3 — CID 24604028

IUPAC5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCCCC1(c2ccc(F)cc2)NC(=O)N(Cc2ccccc2OC(F)F)C1=O
InChIInChI=1S/C21H21F3N2O3/c1-2-3-12-21(15-8-10-16(22)11-9-15)18(27)26(20(28)25-21)13-14-6-4-5-7-17(14)29-19(23)24/h4-11,19H,2-3,12-13H2,1H3,(H,25,28)
InChIKeyKPWYRJBYMMULGF-UHFFFAOYSA-N
MW406.40 g/mol
LogP4.56
Rot. Bonds8

About 5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 24604028) has the molecular formula C21H21F3N2O3 and a molecular weight of 406.40 g/mol. Its IUPAC name is 5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID24604028
Molecular FormulaC21H21F3N2O3
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC Name5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCCCC1(c2ccc(F)cc2)NC(=O)N(Cc2ccccc2OC(F)F)C1=O
InChIInChI=1S/C21H21F3N2O3/c1-2-3-12-21(15-8-10-16(22)11-9-15)18(27)26(20(28)25-21)13-14-6-4-5-7-17(14)29-19(23)24/h4-11,19H,2-3,12-13H2,1H3,(H,25,28)
InChIKeyKPWYRJBYMMULGF-UHFFFAOYSA-N
XLogP4.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 7620277
(5R)-5-butyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7621303
(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7621342
(5R)-3-[(2-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585387
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7620481
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 7622152
5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 18275723
5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 47057013
3-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]propanenitrile
CID 95264677
5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 112775560

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 24604028) is 5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is CCCCC1(c2ccc(F)cc2)NC(=O)N(Cc2ccccc2OC(F)F)C1=O.
What is the InChIKey of 5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is KPWYRJBYMMULGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3/c1-2-3-12-21(15-8-10-16(22)11-9-15)18(27)26(20(28)25-21)13-14-6-4-5-7-17(14)29-19(23)24/h4-11,19H,2-3,12-13H2,1H3,(H,25,28).
What are the key properties of 5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 406.40 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 24604028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).