(5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C18H13BrClN3O3 — CID 11553841

IUPAC(5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(Br)cc2)N1
InChIInChI=1S/C18H13BrClN3O3/c19-12-4-2-11(3-5-12)18(16(25)21-17(26)22-18)9-23-8-10-1-6-13(20)7-14(10)15(23)24/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m1/s1
InChIKeyPTRRFQAGJJLUMS-GOSISDBHSA-N
MW434.68 g/mol
LogP2.79
Rot. Bonds3

About (5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 11553841) has the molecular formula C18H13BrClN3O3 and a molecular weight of 434.68 g/mol. Its IUPAC name is (5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID11553841
Molecular FormulaC18H13BrClN3O3
Molecular Weight434.68 g/mol
Exact Mass432.98
IUPAC Name(5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(Br)cc2)N1
InChIInChI=1S/C18H13BrClN3O3/c19-12-4-2-11(3-5-12)18(16(25)21-17(26)22-18)9-23-8-10-1-6-13(20)7-14(10)15(23)24/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m1/s1
InChIKeyPTRRFQAGJJLUMS-GOSISDBHSA-N
XLogP2.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.68
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 46844314
5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione
CID 11668295
(+/-)-5-((5-Chloro-1-oxoisoindolin-2-yl)methyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 11675173
2-[(3,4-Dichlorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 9999507
2-[(4-Bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 10000132
2-[(4-Bromo-2-fluorophenyl)methyl]-5-chlorospiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 10433225
7-(3-Chlorobenzoyl)-3-[(4-chlorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 87053908
3-Benzyl-7-(3-chlorobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 87053918
(5S)-7-(3-chlorobenzoyl)-3-[(4-chlorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97815087
(5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 11509035
5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 11568280
5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 11568959

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 11553841) is (5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(Br)cc2)N1.
What is the InChIKey of (5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is PTRRFQAGJJLUMS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H13BrClN3O3/c19-12-4-2-11(3-5-12)18(16(25)21-17(26)22-18)9-23-8-10-1-6-13(20)7-14(10)15(23)24/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m1/s1.
What are the key properties of (5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 434.68 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11553841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).