3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione

C17H13BrF2N2O2 — CID 43029260

IUPAC3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc(Br)c2)C1=O
InChIInChI=1S/C17H13BrF2N2O2/c1-17(13-8-12(19)5-6-14(13)20)15(23)22(16(24)21-17)9-10-3-2-4-11(18)7-10/h2-8H,9H2,1H3,(H,21,24)
InChIKeyOKYZUFCENAQLBE-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.69
Rot. Bonds3

About 3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione

3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 43029260) has the molecular formula C17H13BrF2N2O2 and a molecular weight of 395.20 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID43029260
Molecular FormulaC17H13BrF2N2O2
Molecular Weight395.20 g/mol
Exact Mass394.01
IUPAC Name3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc(Br)c2)C1=O
InChIInChI=1S/C17H13BrF2N2O2/c1-17(13-8-12(19)5-6-14(13)20)15(23)22(16(24)21-17)9-10-3-2-4-11(18)7-10/h2-8H,9H2,1H3,(H,21,24)
InChIKeyOKYZUFCENAQLBE-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-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-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 27687466
5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 46815559
3-[(4-bromo-2-fluorophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 55374656
5-(2,5-difluorophenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 46824039
(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7562098
5-(2,5-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529238
(5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52780588
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691
5-(2-chloro-4-fluorophenyl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56518049
3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
CID 60617594
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 7178046

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione (CID 43029260) is 3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc(Br)c2)C1=O.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is OKYZUFCENAQLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N2O2/c1-17(13-8-12(19)5-6-14(13)20)15(23)22(16(24)21-17)9-10-3-2-4-11(18)7-10/h2-8H,9H2,1H3,(H,21,24).
What are the key properties of 3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 395.20 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43029260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).