1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione

C18H18BrClN2O2 — CID 142829072

IUPAC1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione
SMILESCc1cc(Cl)cc(N2C(=O)NC(C)C2=O)c1.Cc1ccc(Br)cc1
InChIInChI=1S/C11H11ClN2O2.C7H7Br/c1-6-3-8(12)5-9(4-6)14-10(15)7(2)13-11(14)16;1-6-2-4-7(8)5-3-6/h3-5,7H,1-2H3,(H,13,16);2-5H,1H3
InChIKeyBLMGATNJJITVHT-UHFFFAOYSA-N
MW409.71 g/mol
LogP4.85
Rot. Bonds1

About 1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione

1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 142829072) has the molecular formula C18H18BrClN2O2 and a molecular weight of 409.71 g/mol. Its IUPAC name is 1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID142829072
Molecular FormulaC18H18BrClN2O2
Molecular Weight409.71 g/mol
Exact Mass408.02
IUPAC Name1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione
SMILESCc1cc(Cl)cc(N2C(=O)NC(C)C2=O)c1.Cc1ccc(Br)cc1
InChIInChI=1S/C11H11ClN2O2.C7H7Br/c1-6-3-8(12)5-9(4-6)14-10(15)7(2)13-11(14)16;1-6-2-4-7(8)5-3-6/h3-5,7H,1-2H3,(H,13,16);2-5H,1H3
InChIKeyBLMGATNJJITVHT-UHFFFAOYSA-N
XLogP4.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.71
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione (CID 142829072) is 1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione is Cc1cc(Cl)cc(N2C(=O)NC(C)C2=O)c1.Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is BLMGATNJJITVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2.C7H7Br/c1-6-3-8(12)5-9(4-6)14-10(15)7(2)13-11(14)16;1-6-2-4-7(8)5-3-6/h3-5,7H,1-2H3,(H,13,16);2-5H,1H3.
What are the key properties of 1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione?
1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 409.71 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methylbenzene;3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 142829072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).