2-bromo-1,5-dimethyl-4-nitroimidazole

C5H6BrN3O2 — CID 23273512

IUPAC2-bromo-1,5-dimethyl-4-nitroimidazole
SMILESCc1c([N+](=O)[O-])nc(Br)n1C
InChIInChI=1S/C5H6BrN3O2/c1-3-4(9(10)11)7-5(6)8(3)2/h1-2H3
InChIKeyOZLGUPLKOLGKAR-UHFFFAOYSA-N
MW220.03 g/mol
LogP1.40
Rot. Bonds1

About 2-bromo-1,5-dimethyl-4-nitroimidazole

2-bromo-1,5-dimethyl-4-nitroimidazole (PubChem CID 23273512) has the molecular formula C5H6BrN3O2 and a molecular weight of 220.03 g/mol. Its IUPAC name is 2-bromo-1,5-dimethyl-4-nitroimidazole.

Molecular Properties

Compound Name2-bromo-1,5-dimethyl-4-nitroimidazole
PubChem CID23273512
Molecular FormulaC5H6BrN3O2
Molecular Weight220.03 g/mol
Exact Mass218.96
IUPAC Name2-bromo-1,5-dimethyl-4-nitroimidazole
SMILESCc1c([N+](=O)[O-])nc(Br)n1C
InChIInChI=1S/C5H6BrN3O2/c1-3-4(9(10)11)7-5(6)8(3)2/h1-2H3
InChIKeyOZLGUPLKOLGKAR-UHFFFAOYSA-N
XLogP1.40
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.03
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-1,5-dimethyl-4-nitroimidazole 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-1,5-dimethyl-4-nitroimidazole?
The IUPAC name of 2-bromo-1,5-dimethyl-4-nitroimidazole (CID 23273512) is 2-bromo-1,5-dimethyl-4-nitroimidazole.
What is the SMILES notation for 2-bromo-1,5-dimethyl-4-nitroimidazole?
The canonical SMILES for 2-bromo-1,5-dimethyl-4-nitroimidazole is Cc1c([N+](=O)[O-])nc(Br)n1C.
What is the InChIKey of 2-bromo-1,5-dimethyl-4-nitroimidazole?
The InChIKey is OZLGUPLKOLGKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3O2/c1-3-4(9(10)11)7-5(6)8(3)2/h1-2H3.
What are the key properties of 2-bromo-1,5-dimethyl-4-nitroimidazole?
2-bromo-1,5-dimethyl-4-nitroimidazole has a molecular weight of 220.03 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,5-dimethyl-4-nitroimidazole is sourced from PubChem (CID 23273512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).