3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione

C21H23FN2O3 — CID 112774127

IUPAC3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CCOc2cc(C)ccc2C)C1=O
InChIInChI=1S/C21H23FN2O3/c1-4-21(16-7-9-17(22)10-8-16)19(25)24(20(26)23-21)11-12-27-18-13-14(2)5-6-15(18)3/h5-10,13H,4,11-12H2,1-3H3,(H,23,26)
InChIKeyPBGHSILCBOBDRQ-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.68
Rot. Bonds6

About 3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione

3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 112774127) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID112774127
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CCOc2cc(C)ccc2C)C1=O
InChIInChI=1S/C21H23FN2O3/c1-4-21(16-7-9-17(22)10-8-16)19(25)24(20(26)23-21)11-12-27-18-13-14(2)5-6-15(18)3/h5-10,13H,4,11-12H2,1-3H3,(H,23,26)
InChIKeyPBGHSILCBOBDRQ-UHFFFAOYSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181227
3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione
CID 84601494
5-ethyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 46647994
5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 4804726
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 55409939
5-(4-chlorophenyl)-5-ethyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42982813
ethyl 2-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 75425553
4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 30804847
N-(2,4-dimethylphenyl)-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7264774
(5R)-5-benzyl-3-[2-(2-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 7637564
3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
CID 42898066

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 112774127) is 3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is CCC1(c2ccc(F)cc2)NC(=O)N(CCOc2cc(C)ccc2C)C1=O.
What is the InChIKey of 3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is PBGHSILCBOBDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-4-21(16-7-9-17(22)10-8-16)19(25)24(20(26)23-21)11-12-27-18-13-14(2)5-6-15(18)3/h5-10,13H,4,11-12H2,1-3H3,(H,23,26).
What are the key properties of 3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 370.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 112774127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).