(5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione

C18H17BrN2O2S — CID 7178072

IUPAC(5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
SMILESCSc1ccc(CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1
InChIInChI=1S/C18H17BrN2O2S/c1-18(13-4-3-5-14(19)10-13)16(22)21(17(23)20-18)11-12-6-8-15(24-2)9-7-12/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m1/s1
InChIKeyOLYAERKTGYPLJW-GOSISDBHSA-N
MW405.32 g/mol
LogP4.14
Rot. Bonds4

About (5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione

(5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 7178072) has the molecular formula C18H17BrN2O2S and a molecular weight of 405.32 g/mol. Its IUPAC name is (5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID7178072
Molecular FormulaC18H17BrN2O2S
Molecular Weight405.32 g/mol
Exact Mass404.02
IUPAC Name(5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
SMILESCSc1ccc(CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1
InChIInChI=1S/C18H17BrN2O2S/c1-18(13-4-3-5-14(19)10-13)16(22)21(17(23)20-18)11-12-6-8-15(24-2)9-7-12/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m1/s1
InChIKeyOLYAERKTGYPLJW-GOSISDBHSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.14
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

3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4804422
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 7178046
4-[[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 6591353
4-[[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2117374
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7988392
(5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 2710989
5-methyl-3-[(4-methylsulfanylphenyl)methyl]-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 24608768
5-(3-bromophenyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3596567
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
(5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 52514080
(5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 41190166
2-[3-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione
CID 43028357

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione (CID 7178072) is (5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione is CSc1ccc(CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1.
What is the InChIKey of (5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is OLYAERKTGYPLJW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17BrN2O2S/c1-18(13-4-3-5-14(19)10-13)16(22)21(17(23)20-18)11-12-6-8-15(24-2)9-7-12/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione?
(5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 405.32 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7178072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).