4,5-dibromo-1-methyl-2-octylimidazole

C12H20Br2N2 — CID 134824051

IUPAC4,5-dibromo-1-methyl-2-octylimidazole
SMILESCCCCCCCCc1nc(Br)c(Br)n1C
InChIInChI=1S/C12H20Br2N2/c1-3-4-5-6-7-8-9-10-15-11(13)12(14)16(10)2/h3-9H2,1-2H3
InChIKeyWJNCTYBNMBMYEC-UHFFFAOYSA-N
MW352.11 g/mol
LogP4.85
Rot. Bonds7

About 4,5-dibromo-1-methyl-2-octylimidazole

4,5-dibromo-1-methyl-2-octylimidazole (PubChem CID 134824051) has the molecular formula C12H20Br2N2 and a molecular weight of 352.11 g/mol. Its IUPAC name is 4,5-dibromo-1-methyl-2-octylimidazole.

Molecular Properties

Compound Name4,5-dibromo-1-methyl-2-octylimidazole
PubChem CID134824051
Molecular FormulaC12H20Br2N2
Molecular Weight352.11 g/mol
Exact Mass350.00
IUPAC Name4,5-dibromo-1-methyl-2-octylimidazole
SMILESCCCCCCCCc1nc(Br)c(Br)n1C
InChIInChI=1S/C12H20Br2N2/c1-3-4-5-6-7-8-9-10-15-11(13)12(14)16(10)2/h3-9H2,1-2H3
InChIKeyWJNCTYBNMBMYEC-UHFFFAOYSA-N
XLogP4.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.11
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-dibromo-1-methyl-2-octylimidazole 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 4,5-dibromo-1-methyl-2-octylimidazole?
The IUPAC name of 4,5-dibromo-1-methyl-2-octylimidazole (CID 134824051) is 4,5-dibromo-1-methyl-2-octylimidazole.
What is the SMILES notation for 4,5-dibromo-1-methyl-2-octylimidazole?
The canonical SMILES for 4,5-dibromo-1-methyl-2-octylimidazole is CCCCCCCCc1nc(Br)c(Br)n1C.
What is the InChIKey of 4,5-dibromo-1-methyl-2-octylimidazole?
The InChIKey is WJNCTYBNMBMYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Br2N2/c1-3-4-5-6-7-8-9-10-15-11(13)12(14)16(10)2/h3-9H2,1-2H3.
What are the key properties of 4,5-dibromo-1-methyl-2-octylimidazole?
4,5-dibromo-1-methyl-2-octylimidazole has a molecular weight of 352.11 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-methyl-2-octylimidazole is sourced from PubChem (CID 134824051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).