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

C10H9BrN2O2 — CID 20823883

IUPAC5-[(3-bromophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cccc(Br)c2)N1
InChIInChI=1S/C10H9BrN2O2/c11-7-3-1-2-6(4-7)5-8-9(14)13-10(15)12-8/h1-4,8H,5H2,(H2,12,13,14,15)
InChIKeyZMKFSRFSNZMERI-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.20
Rot. Bonds2

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

5-[(3-bromophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 20823883) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-bromophenyl)methyl]imidazolidine-2,4-dione
PubChem CID20823883
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name5-[(3-bromophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cccc(Br)c2)N1
InChIInChI=1S/C10H9BrN2O2/c11-7-3-1-2-6(4-7)5-8-9(14)13-10(15)12-8/h1-4,8H,5H2,(H2,12,13,14,15)
InChIKeyZMKFSRFSNZMERI-UHFFFAOYSA-N
XLogP1.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.20
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)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(3-bromophenyl)methyl]imidazolidine-2,4-dione (CID 20823883) is 5-[(3-bromophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(3-bromophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(3-bromophenyl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(Cc2cccc(Br)c2)N1.
What is the InChIKey of 5-[(3-bromophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is ZMKFSRFSNZMERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-7-3-1-2-6(4-7)5-8-9(14)13-10(15)12-8/h1-4,8H,5H2,(H2,12,13,14,15).
What are the key properties of 5-[(3-bromophenyl)methyl]imidazolidine-2,4-dione?
5-[(3-bromophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 269.10 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 20823883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).