2-bromo-1,4,5-trimethylimidazole

C6H9BrN2 — CID 74890576

IUPAC2-bromo-1,4,5-trimethylimidazole
SMILESCc1nc(Br)n(C)c1C
InChIInChI=1S/C6H9BrN2/c1-4-5(2)9(3)6(7)8-4/h1-3H3
InChIKeyHGODMPYCRWDPJP-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.80
Rot. Bonds

About 2-bromo-1,4,5-trimethylimidazole

2-bromo-1,4,5-trimethylimidazole (PubChem CID 74890576) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 2-bromo-1,4,5-trimethylimidazole.

Molecular Properties

Compound Name2-bromo-1,4,5-trimethylimidazole
PubChem CID74890576
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name2-bromo-1,4,5-trimethylimidazole
SMILESCc1nc(Br)n(C)c1C
InChIInChI=1S/C6H9BrN2/c1-4-5(2)9(3)6(7)8-4/h1-3H3
InChIKeyHGODMPYCRWDPJP-UHFFFAOYSA-N
XLogP1.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-1,4,5-trimethylimidazole 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 2-bromo-1,4,5-trimethylimidazole?
The IUPAC name of 2-bromo-1,4,5-trimethylimidazole (CID 74890576) is 2-bromo-1,4,5-trimethylimidazole.
What is the SMILES notation for 2-bromo-1,4,5-trimethylimidazole?
The canonical SMILES for 2-bromo-1,4,5-trimethylimidazole is Cc1nc(Br)n(C)c1C.
What is the InChIKey of 2-bromo-1,4,5-trimethylimidazole?
The InChIKey is HGODMPYCRWDPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-4-5(2)9(3)6(7)8-4/h1-3H3.
What are the key properties of 2-bromo-1,4,5-trimethylimidazole?
2-bromo-1,4,5-trimethylimidazole has a molecular weight of 189.06 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4,5-trimethylimidazole is sourced from PubChem (CID 74890576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).