1-(dibromomethyl)imidazole

C4H4Br2N2 — CID 175175892

IUPAC1-(dibromomethyl)imidazole
SMILESBrC(Br)n1ccnc1
InChIInChI=1S/C4H4Br2N2/c5-4(6)8-2-1-7-3-8/h1-4H
InChIKeyPAIZWBWNICLXGH-UHFFFAOYSA-N
MW239.90 g/mol
LogP2.13
Rot. Bonds1

About 1-(dibromomethyl)imidazole

1-(dibromomethyl)imidazole (PubChem CID 175175892) has the molecular formula C4H4Br2N2 and a molecular weight of 239.90 g/mol. Its IUPAC name is 1-(dibromomethyl)imidazole.

Molecular Properties

Compound Name1-(dibromomethyl)imidazole
PubChem CID175175892
Molecular FormulaC4H4Br2N2
Molecular Weight239.90 g/mol
Exact Mass237.87
IUPAC Name1-(dibromomethyl)imidazole
SMILESBrC(Br)n1ccnc1
InChIInChI=1S/C4H4Br2N2/c5-4(6)8-2-1-7-3-8/h1-4H
InChIKeyPAIZWBWNICLXGH-UHFFFAOYSA-N
XLogP2.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.90
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(dibromomethyl)imidazole with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-chloroethyl)imidazole
CID 22400425
ethane;methane;1-propan-2-ylimidazole
CID 159501500
1-imidazol-1-ylethanol
CID 18366448
1-imidazol-1-yl-N,N-dimethylethanamine
CID 123720804
[fluoro(imidazol-1-yl)methyl] thiohypoiodite
CID 162294991
carbonic acid;1-propan-2-ylimidazole
CID 175084414
1-(1-nitrosoethyl)imidazole
CID 54257439
2-imidazol-1-ylpropanoic acid
CID 16788764
1-(3-ethylpentan-2-yl)imidazole
CID 174620112
3-imidazol-1-yl-2-methylbutan-1-ol
CID 175456852
1-hexan-3-ylimidazole
CID 54145075
1-benzhydrylimidazole;hydrobromide
CID 174865219

Frequently Asked Questions

What is the IUPAC name of 1-(dibromomethyl)imidazole?
The IUPAC name of 1-(dibromomethyl)imidazole (CID 175175892) is 1-(dibromomethyl)imidazole.
What is the SMILES notation for 1-(dibromomethyl)imidazole?
The canonical SMILES for 1-(dibromomethyl)imidazole is BrC(Br)n1ccnc1.
What is the InChIKey of 1-(dibromomethyl)imidazole?
The InChIKey is PAIZWBWNICLXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br2N2/c5-4(6)8-2-1-7-3-8/h1-4H.
What are the key properties of 1-(dibromomethyl)imidazole?
1-(dibromomethyl)imidazole has a molecular weight of 239.90 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibromomethyl)imidazole is sourced from PubChem (CID 175175892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).