(5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione

C10H7BrN2O2 — CID 807692

IUPAC(5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccccc2Br)N1
InChIInChI=1S/C10H7BrN2O2/c11-7-4-2-1-3-6(7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5+
InChIKeyIXOQHQRBVUQOTH-VMPITWQZSA-N
MW267.08 g/mol
LogP1.63
Rot. Bonds1

About (5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 807692) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is (5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID807692
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name(5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccccc2Br)N1
InChIInChI=1S/C10H7BrN2O2/c11-7-4-2-1-3-6(7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5+
InChIKeyIXOQHQRBVUQOTH-VMPITWQZSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione (CID 807692) is (5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccccc2Br)N1.
What is the InChIKey of (5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is IXOQHQRBVUQOTH-VMPITWQZSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-7-4-2-1-3-6(7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5+.
What are the key properties of (5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 267.08 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 807692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).