1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole

C12H8Br2N2O — CID 10316205

IUPAC1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole
SMILESBrc1cc(Br)c2oc(Cn3ccnc3)cc2c1
InChIInChI=1S/C12H8Br2N2O/c13-9-3-8-4-10(6-16-2-1-15-7-16)17-12(8)11(14)5-9/h1-5,7H,6H2
InChIKeyUZJSCEXYIOSTHP-UHFFFAOYSA-N
MW356.02 g/mol
LogP4.20
Rot. Bonds2

About 1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole

1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole (PubChem CID 10316205) has the molecular formula C12H8Br2N2O and a molecular weight of 356.02 g/mol. Its IUPAC name is 1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole
PubChem CID10316205
Molecular FormulaC12H8Br2N2O
Molecular Weight356.02 g/mol
Exact Mass353.90
IUPAC Name1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole
SMILESBrc1cc(Br)c2oc(Cn3ccnc3)cc2c1
InChIInChI=1S/C12H8Br2N2O/c13-9-3-8-4-10(6-16-2-1-15-7-16)17-12(8)11(14)5-9/h1-5,7H,6H2
InChIKeyUZJSCEXYIOSTHP-UHFFFAOYSA-N
XLogP4.20
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.02
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole 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-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole?
The IUPAC name of 1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole (CID 10316205) is 1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole is Brc1cc(Br)c2oc(Cn3ccnc3)cc2c1.
What is the InChIKey of 1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole?
The InChIKey is UZJSCEXYIOSTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O/c13-9-3-8-4-10(6-16-2-1-15-7-16)17-12(8)11(14)5-9/h1-5,7H,6H2.
What are the key properties of 1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole?
1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole has a molecular weight of 356.02 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,7-dibromo-1-benzofuran-2-yl)methyl]imidazole is sourced from PubChem (CID 10316205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).