3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

C19H19BrN2O4S — CID 43036959

IUPAC3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CCS(=O)(=O)c3ccc(Br)cc3)C(=O)C2C)cc1
InChIInChI=1S/C19H19BrN2O4S/c1-13-3-7-16(8-4-13)22-14(2)18(23)21(19(22)24)11-12-27(25,26)17-9-5-15(20)6-10-17/h3-10,14H,11-12H2,1-2H3
InChIKeySIZFECPDOFEADF-UHFFFAOYSA-N
MW451.34 g/mol
LogP3.39
Rot. Bonds5

About 3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 43036959) has the molecular formula C19H19BrN2O4S and a molecular weight of 451.34 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID43036959
Molecular FormulaC19H19BrN2O4S
Molecular Weight451.34 g/mol
Exact Mass450.02
IUPAC Name3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CCS(=O)(=O)c3ccc(Br)cc3)C(=O)C2C)cc1
InChIInChI=1S/C19H19BrN2O4S/c1-13-3-7-16(8-4-13)22-14(2)18(23)21(19(22)24)11-12-27(25,26)17-9-5-15(20)6-10-17/h3-10,14H,11-12H2,1-2H3
InChIKeySIZFECPDOFEADF-UHFFFAOYSA-N
XLogP3.39
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 56797095
(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9120435
(5R)-5-methyl-1-(4-methylphenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 41074490
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9360457
N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51639717
5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione
CID 17412039
1-[(4-bromophenyl)methylsulfonyl]-4-methylbenzene
CID 2996005
4-[2,5-dimethyl-3-[2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]pyrrol-1-yl]benzenesulfonamide
CID 41038112
N-carbamoyl-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3678358
(5S)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 8891877
3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 17499260
(5R)-5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]imidazolidine-2,4-dione
CID 2470328

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 43036959) is 3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(CCS(=O)(=O)c3ccc(Br)cc3)C(=O)C2C)cc1.
What is the InChIKey of 3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is SIZFECPDOFEADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4S/c1-13-3-7-16(8-4-13)22-14(2)18(23)21(19(22)24)11-12-27(25,26)17-9-5-15(20)6-10-17/h3-10,14H,11-12H2,1-2H3.
What are the key properties of 3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 451.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 43036959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).