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

C21H23FN2O3 — CID 7621342

IUPAC(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc(OC)c2)C1=O
InChIInChI=1S/C21H23FN2O3/c1-3-4-12-21(16-8-10-17(22)11-9-16)19(25)24(20(26)23-21)14-15-6-5-7-18(13-15)27-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyIQQTVJATXDVYAQ-OAQYLSRUSA-N
MW370.42 g/mol
LogP3.97
Rot. Bonds7

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

(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 7621342) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is (5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
PubChem CID7621342
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc(OC)c2)C1=O
InChIInChI=1S/C21H23FN2O3/c1-3-4-12-21(16-8-10-17(22)11-9-16)19(25)24(20(26)23-21)14-15-6-5-7-18(13-15)27-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyIQQTVJATXDVYAQ-OAQYLSRUSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.97
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-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 112775560
(5R)-5-butyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7621303
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
(5S)-3-[(3-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7986927
5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 7620277
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7595682
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 24604028
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958
5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 55327621
(5S)-5-butyl-5-(4-fluorophenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 8675979

Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione (CID 7621342) is (5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione is CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc(OC)c2)C1=O.
What is the InChIKey of (5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is IQQTVJATXDVYAQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-3-4-12-21(16-8-10-17(22)11-9-16)19(25)24(20(26)23-21)14-15-6-5-7-18(13-15)27-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,26)/t21-/m1/s1.
What are the key properties of (5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione?
(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 370.42 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7621342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).