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

C18H13BrF2N2O3 — CID 41142691

IUPAC(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O
InChIInChI=1S/C18H13BrF2N2O3/c1-18(13-8-12(20)6-7-14(13)21)16(25)23(17(26)22-18)9-15(24)10-2-4-11(19)5-3-10/h2-8H,9H2,1H3,(H,22,26)/t18-/m0/s1
InChIKeyWLSWEKLNVZKICP-SFHVURJKSA-N
MW423.21 g/mol
LogP3.38
Rot. Bonds4

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

(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 41142691) has the molecular formula C18H13BrF2N2O3 and a molecular weight of 423.21 g/mol. Its IUPAC name is (5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID41142691
Molecular FormulaC18H13BrF2N2O3
Molecular Weight423.21 g/mol
Exact Mass422.01
IUPAC Name(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O
InChIInChI=1S/C18H13BrF2N2O3/c1-18(13-8-12(20)6-7-14(13)21)16(25)23(17(26)22-18)9-15(24)10-2-4-11(19)5-3-10/h2-8H,9H2,1H3,(H,22,26)/t18-/m0/s1
InChIKeyWLSWEKLNVZKICP-SFHVURJKSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.21
LogP ≤ 53.38
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

5-(2,5-difluorophenyl)-3-[2-(4-hexylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 46552369
(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 7561979
5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 155529560
(5R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562039
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 9060172
5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione
CID 43034219
3-[(4-bromo-2-fluorophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 55374656
(5R)-5-(2,5-difluorophenyl)-3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8597585
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 7801414
N-(4-acetylphenyl)-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801295

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione (CID 41142691) is (5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione is C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O.
What is the InChIKey of (5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is WLSWEKLNVZKICP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H13BrF2N2O3/c1-18(13-8-12(20)6-7-14(13)21)16(25)23(17(26)22-18)9-15(24)10-2-4-11(19)5-3-10/h2-8H,9H2,1H3,(H,22,26)/t18-/m0/s1.
What are the key properties of (5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 423.21 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 41142691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).