1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one

C8H8BrN3O2 — CID 71388258

IUPAC1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one
SMILESO=C1NCCN1N=Cc1ccc(Br)o1
InChIInChI=1S/C8H8BrN3O2/c9-7-2-1-6(14-7)5-11-12-4-3-10-8(12)13/h1-2,5H,3-4H2,(H,10,13)
InChIKeyFJRPDRDJLWHRCO-UHFFFAOYSA-N
MW258.07 g/mol
LogP1.40
Rot. Bonds2

About 1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one

1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one (PubChem CID 71388258) has the molecular formula C8H8BrN3O2 and a molecular weight of 258.07 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one
PubChem CID71388258
Molecular FormulaC8H8BrN3O2
Molecular Weight258.07 g/mol
Exact Mass256.98
IUPAC Name1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one
SMILESO=C1NCCN1N=Cc1ccc(Br)o1
InChIInChI=1S/C8H8BrN3O2/c9-7-2-1-6(14-7)5-11-12-4-3-10-8(12)13/h1-2,5H,3-4H2,(H,10,13)
InChIKeyFJRPDRDJLWHRCO-UHFFFAOYSA-N
XLogP1.40
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one?
The IUPAC name of 1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one (CID 71388258) is 1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one is O=C1NCCN1N=Cc1ccc(Br)o1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one?
The InChIKey is FJRPDRDJLWHRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2/c9-7-2-1-6(14-7)5-11-12-4-3-10-8(12)13/h1-2,5H,3-4H2,(H,10,13).
What are the key properties of 1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one?
1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one has a molecular weight of 258.07 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methylideneamino]imidazolidin-2-one is sourced from PubChem (CID 71388258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).