5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

C22H20F2N4O3 — CID 18275723

IUPAC5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESCCCCC1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1=O
InChIInChI=1S/C22H20F2N4O3/c1-2-3-12-22(15-6-10-17(24)11-7-15)20(29)28(21(30)26-22)13-18-25-19(27-31-18)14-4-8-16(23)9-5-14/h4-11H,2-3,12-13H2,1H3,(H,26,30)
InChIKeyVQKKNQLKIBAFNB-UHFFFAOYSA-N
MW426.42 g/mol
LogP4.15
Rot. Bonds7

About 5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (PubChem CID 18275723) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is 5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
PubChem CID18275723
Molecular FormulaC22H20F2N4O3
Molecular Weight426.42 g/mol
Exact Mass426.15
IUPAC Name5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESCCCCC1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1=O
InChIInChI=1S/C22H20F2N4O3/c1-2-3-12-22(15-6-10-17(24)11-7-15)20(29)28(21(30)26-22)13-18-25-19(27-31-18)14-4-8-16(23)9-5-14/h4-11H,2-3,12-13H2,1H3,(H,26,30)
InChIKeyVQKKNQLKIBAFNB-UHFFFAOYSA-N
XLogP4.15
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-5-phenyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 24670860
5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 24521120
5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 55327621
5-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18100275
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 55412063
(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40812144
(5R)-5-benzyl-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30553527
5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 55528869
5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 24604028
5-(2,4-dichlorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 43030300
3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dipropylimidazolidine-2,4-dione
CID 32546193

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (CID 18275723) is 5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is CCCCC1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1=O.
What is the InChIKey of 5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is VQKKNQLKIBAFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c1-2-3-12-22(15-6-10-17(24)11-7-15)20(29)28(21(30)26-22)13-18-25-19(27-31-18)14-4-8-16(23)9-5-14/h4-11H,2-3,12-13H2,1H3,(H,26,30).
What are the key properties of 5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 426.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18275723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).