2-bromo-1H-imidazole

C3H3BrN2 — CID 2773261

IUPAC2-bromo-1H-imidazole
SMILESBrc1ncc[nH]1
InChIInChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKeyAXHRGVJWDJDYPO-UHFFFAOYSA-N
MW146.97 g/mol
LogP1.17
Rot. Bonds

About 2-bromo-1H-imidazole

2-bromo-1H-imidazole (PubChem CID 2773261) has the molecular formula C3H3BrN2 and a molecular weight of 146.97 g/mol. Its IUPAC name is 2-bromo-1H-imidazole.

Molecular Properties

Compound Name2-bromo-1H-imidazole
PubChem CID2773261
Molecular FormulaC3H3BrN2
Molecular Weight146.97 g/mol
Exact Mass145.95
IUPAC Name2-bromo-1H-imidazole
SMILESBrc1ncc[nH]1
InChIInChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKeyAXHRGVJWDJDYPO-UHFFFAOYSA-N
XLogP1.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.97
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-1H-imidazole 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-1H-imidazole?
The IUPAC name of 2-bromo-1H-imidazole (CID 2773261) is 2-bromo-1H-imidazole.
What is the SMILES notation for 2-bromo-1H-imidazole?
The canonical SMILES for 2-bromo-1H-imidazole is Brc1ncc[nH]1.
What is the InChIKey of 2-bromo-1H-imidazole?
The InChIKey is AXHRGVJWDJDYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6).
What are the key properties of 2-bromo-1H-imidazole?
2-bromo-1H-imidazole has a molecular weight of 146.97 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1H-imidazole is sourced from PubChem (CID 2773261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).