5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione

C20H17BrF2N2O3 — CID 155534603

IUPAC5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(c2ccc(Br)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C20H17BrF2N2O3/c1-2-9-20(12-3-5-13(21)6-4-12)18(27)25(19(28)24-20)11-17(26)15-8-7-14(22)10-16(15)23/h3-8,10H,2,9,11H2,1H3,(H,24,28)
InChIKeyHLASKZRGMPQAQE-UHFFFAOYSA-N
MW451.27 g/mol
LogP4.16
Rot. Bonds6

About 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione

5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione (PubChem CID 155534603) has the molecular formula C20H17BrF2N2O3 and a molecular weight of 451.27 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione
PubChem CID155534603
Molecular FormulaC20H17BrF2N2O3
Molecular Weight451.27 g/mol
Exact Mass450.04
IUPAC Name5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(c2ccc(Br)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C20H17BrF2N2O3/c1-2-9-20(12-3-5-13(21)6-4-12)18(27)25(19(28)24-20)11-17(26)15-8-7-14(22)10-16(15)23/h3-8,10H,2,9,11H2,1H3,(H,24,28)
InChIKeyHLASKZRGMPQAQE-UHFFFAOYSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-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

3-[2-(4-Ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4790937
3'-[2-(4-Bromophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 16350198
2-[(1R,3S)-6-bromo-1-fluoro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957349
2-[(1S)-5-bromo-2',3,5'-trioxospiro[2H-indene-1,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957863
4-tert-butyl-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2967394
1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide
CID 3144332
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 3380749
4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide
CID 3591440
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 4395430
5-Methyl-3-[1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 4875421
5,5-Bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione
CID 10346150
5,5-Bis-(4-bromo-phenyl)-3-(3-hydroxy-propyl)-imidazolidine-2,4-dione
CID 10479729

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione (CID 155534603) is 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione is CCCC1(c2ccc(Br)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is HLASKZRGMPQAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrF2N2O3/c1-2-9-20(12-3-5-13(21)6-4-12)18(27)25(19(28)24-20)11-17(26)15-8-7-14(22)10-16(15)23/h3-8,10H,2,9,11H2,1H3,(H,24,28).
What are the key properties of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione?
5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 451.27 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 155534603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).