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

C20H20FN3O4 — CID 112775560

IUPAC5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESCCCCC1(c2ccc(F)cc2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C20H20FN3O4/c1-2-3-11-20(15-7-9-16(21)10-8-15)18(25)23(19(26)22-20)13-14-5-4-6-17(12-14)24(27)28/h4-10,12H,2-3,11,13H2,1H3,(H,22,26)
InChIKeyPVPIZXYSMGOONZ-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.87
Rot. Bonds7

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

5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 112775560) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
PubChem CID112775560
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESCCCCC1(c2ccc(F)cc2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C20H20FN3O4/c1-2-3-11-20(15-7-9-16(21)10-8-15)18(25)23(19(26)22-20)13-14-5-4-6-17(12-14)24(27)28/h4-10,12H,2-3,11,13H2,1H3,(H,22,26)
InChIKeyPVPIZXYSMGOONZ-UHFFFAOYSA-N
XLogP3.87
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7621342
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
(5R)-5-butyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7621303
(5S)-3-[(3-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7986927
(5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 2710989
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958
(5S)-5-butyl-5-(4-fluorophenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 8675979
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
5-(4-chlorophenyl)-5-ethyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 4881082
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 40927642
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7620041

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione (CID 112775560) is 5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione is CCCCC1(c2ccc(F)cc2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O.
What is the InChIKey of 5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is PVPIZXYSMGOONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-2-3-11-20(15-7-9-16(21)10-8-15)18(25)23(19(26)22-20)13-14-5-4-6-17(12-14)24(27)28/h4-10,12H,2-3,11,13H2,1H3,(H,22,26).
What are the key properties of 5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione?
5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 385.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 112775560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).