4-bromo-2-ethoxy-1-methylimidazole

C6H9BrN2O — CID 117189587

IUPAC4-bromo-2-ethoxy-1-methylimidazole
SMILESCCOc1nc(Br)cn1C
InChIInChI=1S/C6H9BrN2O/c1-3-10-6-8-5(7)4-9(6)2/h4H,3H2,1-2H3
InChIKeyJAPCRWQTQKUCAG-UHFFFAOYSA-N
MW205.05 g/mol
LogP1.58
Rot. Bonds2

About 4-bromo-2-ethoxy-1-methylimidazole

4-bromo-2-ethoxy-1-methylimidazole (PubChem CID 117189587) has the molecular formula C6H9BrN2O and a molecular weight of 205.05 g/mol. Its IUPAC name is 4-bromo-2-ethoxy-1-methylimidazole.

Molecular Properties

Compound Name4-bromo-2-ethoxy-1-methylimidazole
PubChem CID117189587
Molecular FormulaC6H9BrN2O
Molecular Weight205.05 g/mol
Exact Mass203.99
IUPAC Name4-bromo-2-ethoxy-1-methylimidazole
SMILESCCOc1nc(Br)cn1C
InChIInChI=1S/C6H9BrN2O/c1-3-10-6-8-5(7)4-9(6)2/h4H,3H2,1-2H3
InChIKeyJAPCRWQTQKUCAG-UHFFFAOYSA-N
XLogP1.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-ethoxy-1-methylimidazole 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-bromo-2-ethoxy-1-methylimidazole?
The IUPAC name of 4-bromo-2-ethoxy-1-methylimidazole (CID 117189587) is 4-bromo-2-ethoxy-1-methylimidazole.
What is the SMILES notation for 4-bromo-2-ethoxy-1-methylimidazole?
The canonical SMILES for 4-bromo-2-ethoxy-1-methylimidazole is CCOc1nc(Br)cn1C.
What is the InChIKey of 4-bromo-2-ethoxy-1-methylimidazole?
The InChIKey is JAPCRWQTQKUCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O/c1-3-10-6-8-5(7)4-9(6)2/h4H,3H2,1-2H3.
What are the key properties of 4-bromo-2-ethoxy-1-methylimidazole?
4-bromo-2-ethoxy-1-methylimidazole has a molecular weight of 205.05 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethoxy-1-methylimidazole is sourced from PubChem (CID 117189587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).