5-(3-bromophenyl)imidazolidine-2,4-dione

C9H7BrN2O2 — CID 45496510

IUPAC5-(3-bromophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cccc(Br)c2)N1
InChIInChI=1S/C9H7BrN2O2/c10-6-3-1-2-5(4-6)7-8(13)12-9(14)11-7/h1-4,7H,(H2,11,12,13,14)
InChIKeyCGHQCQUIFVSVMG-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.33
Rot. Bonds1

About 5-(3-bromophenyl)imidazolidine-2,4-dione

5-(3-bromophenyl)imidazolidine-2,4-dione (PubChem CID 45496510) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 5-(3-bromophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-bromophenyl)imidazolidine-2,4-dione
PubChem CID45496510
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name5-(3-bromophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cccc(Br)c2)N1
InChIInChI=1S/C9H7BrN2O2/c10-6-3-1-2-5(4-6)7-8(13)12-9(14)11-7/h1-4,7H,(H2,11,12,13,14)
InChIKeyCGHQCQUIFVSVMG-UHFFFAOYSA-N
XLogP1.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.33
H-Bond Donors ≤ 52
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 5-(3-bromophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3-bromophenyl)imidazolidine-2,4-dione (CID 45496510) is 5-(3-bromophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-bromophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-bromophenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(c2cccc(Br)c2)N1.
What is the InChIKey of 5-(3-bromophenyl)imidazolidine-2,4-dione?
The InChIKey is CGHQCQUIFVSVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c10-6-3-1-2-5(4-6)7-8(13)12-9(14)11-7/h1-4,7H,(H2,11,12,13,14).
What are the key properties of 5-(3-bromophenyl)imidazolidine-2,4-dione?
5-(3-bromophenyl)imidazolidine-2,4-dione has a molecular weight of 255.07 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45496510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).