(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione

C21H23FN2O3 — CID 7620277

IUPAC(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
SMILESCCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccccc2)C1=O
InChIInChI=1S/C21H23FN2O3/c1-2-3-13-21(16-9-11-17(22)12-10-16)19(25)24(20(26)23-21)14-15-27-18-7-5-4-6-8-18/h4-12H,2-3,13-15H2,1H3,(H,23,26)/t21-/m0/s1
InChIKeyALDVHCZYYSIVDY-NRFANRHFSA-N
MW370.42 g/mol
LogP3.84
Rot. Bonds8

About (5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione

(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione (PubChem CID 7620277) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is (5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
PubChem CID7620277
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
SMILESCCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccccc2)C1=O
InChIInChI=1S/C21H23FN2O3/c1-2-3-13-21(16-9-11-17(22)12-10-16)19(25)24(20(26)23-21)14-15-27-18-7-5-4-6-8-18/h4-12H,2-3,13-15H2,1H3,(H,23,26)/t21-/m0/s1
InChIKeyALDVHCZYYSIVDY-NRFANRHFSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.84
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

4-[2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 42976471
4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile
CID 55326801
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 47057013
5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 4804726
(5R)-5-benzyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 7240283
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181227
3-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]propanenitrile
CID 95264677
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7621342
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823

Frequently Asked Questions

What is the IUPAC name of (5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione (CID 7620277) is (5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione is CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccccc2)C1=O.
What is the InChIKey of (5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
The InChIKey is ALDVHCZYYSIVDY-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-2-3-13-21(16-9-11-17(22)12-10-16)19(25)24(20(26)23-21)14-15-27-18-7-5-4-6-8-18/h4-12H,2-3,13-15H2,1H3,(H,23,26)/t21-/m0/s1.
What are the key properties of (5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione has a molecular weight of 370.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7620277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).