5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione

C22H26FN3O4 — CID 4804731

IUPAC5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(CCOC)c2C)C1=O
InChIInChI=1S/C22H26FN3O4/c1-5-22(16-6-8-17(23)9-7-16)20(28)26(21(29)24-22)13-19(27)18-12-14(2)25(15(18)3)10-11-30-4/h6-9,12H,5,10-11,13H2,1-4H3,(H,24,29)
InChIKeyNVJAUCKVBHMFGB-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.93
Rot. Bonds8

About 5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione

5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 4804731) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is 5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID4804731
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(CCOC)c2C)C1=O
InChIInChI=1S/C22H26FN3O4/c1-5-22(16-6-8-17(23)9-7-16)20(28)26(21(29)24-22)13-19(27)18-12-14(2)25(15(18)3)10-11-30-4/h6-9,12H,5,10-11,13H2,1-4H3,(H,24,29)
InChIKeyNVJAUCKVBHMFGB-UHFFFAOYSA-N
XLogP2.93
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]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

5-(4-chlorophenyl)-5-ethyl-3-[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 42979345
(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 2086402
(5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 41169021
(5S)-3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181267
(5S)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178272
5-ethyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 46647994
(5R)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580032
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 16615032
5-ethyl-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 4804480
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7883965
(5R)-5-ethyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 42064162
(5R)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180609

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 4804731) is 5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione is CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(CCOC)c2C)C1=O.
What is the InChIKey of 5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is NVJAUCKVBHMFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-5-22(16-6-8-17(23)9-7-16)20(28)26(21(29)24-22)13-19(27)18-12-14(2)25(15(18)3)10-11-30-4/h6-9,12H,5,10-11,13H2,1-4H3,(H,24,29).
What are the key properties of 5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 415.47 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 4804731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).