4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole

C16H12BrIN2 — CID 174433803

IUPAC4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole
SMILESBrc1ccc(CC2C=NC(c3cccc(I)c3)=N2)cc1
InChIInChI=1S/C16H12BrIN2/c17-13-6-4-11(5-7-13)8-15-10-19-16(20-15)12-2-1-3-14(18)9-12/h1-7,9-10,15H,8H2
InChIKeyYGLSLCNFILUJMV-UHFFFAOYSA-N
MW439.09 g/mol
LogP4.50
Rot. Bonds3

About 4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole

4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole (PubChem CID 174433803) has the molecular formula C16H12BrIN2 and a molecular weight of 439.09 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole
PubChem CID174433803
Molecular FormulaC16H12BrIN2
Molecular Weight439.09 g/mol
Exact Mass437.92
IUPAC Name4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole
SMILESBrc1ccc(CC2C=NC(c3cccc(I)c3)=N2)cc1
InChIInChI=1S/C16H12BrIN2/c17-13-6-4-11(5-7-13)8-15-10-19-16(20-15)12-2-1-3-14(18)9-12/h1-7,9-10,15H,8H2
InChIKeyYGLSLCNFILUJMV-UHFFFAOYSA-N
XLogP4.50
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.09
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole?
The IUPAC name of 4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole (CID 174433803) is 4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole is Brc1ccc(CC2C=NC(c3cccc(I)c3)=N2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole?
The InChIKey is YGLSLCNFILUJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrIN2/c17-13-6-4-11(5-7-13)8-15-10-19-16(20-15)12-2-1-3-14(18)9-12/h1-7,9-10,15H,8H2.
What are the key properties of 4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole?
4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole has a molecular weight of 439.09 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole is sourced from PubChem (CID 174433803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).