4-bromo-1-ethylimidazol-2-amine

C5H8BrN3 — CID 117189629

IUPAC4-bromo-1-ethylimidazol-2-amine
SMILESCCn1cc(Br)nc1N
InChIInChI=1S/C5H8BrN3/c1-2-9-3-4(6)8-5(9)7/h3H,2H2,1H3,(H2,7,8)
InChIKeyJPKJZLZAIYLTKN-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.25
Rot. Bonds1

About 4-bromo-1-ethylimidazol-2-amine

4-bromo-1-ethylimidazol-2-amine (PubChem CID 117189629) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is 4-bromo-1-ethylimidazol-2-amine.

Molecular Properties

Compound Name4-bromo-1-ethylimidazol-2-amine
PubChem CID117189629
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name4-bromo-1-ethylimidazol-2-amine
SMILESCCn1cc(Br)nc1N
InChIInChI=1S/C5H8BrN3/c1-2-9-3-4(6)8-5(9)7/h3H,2H2,1H3,(H2,7,8)
InChIKeyJPKJZLZAIYLTKN-UHFFFAOYSA-N
XLogP1.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-ethylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dibromo-1-ethylimidazole
CID 90043708
4-bromo-1-ethyl-2-phenylimidazole
CID 30032980
2-amino-1,5-diethylpyrimidin-4-one
CID 91342294
4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191974
4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole
CID 117189904
1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine
CID 117191827
4-bromo-2-methyl-1-(2-methylpropyl)imidazole
CID 130138605
4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine
CID 117191734
4-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117187606
4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191924
5-bromo-1-ethyl-3-methylpyrrolo[3,2-b]pyridine;ethane
CID 143014971
4-amino-1-ethyl-5-methylpyrimidin-2-one
CID 15218124

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethylimidazol-2-amine?
The IUPAC name of 4-bromo-1-ethylimidazol-2-amine (CID 117189629) is 4-bromo-1-ethylimidazol-2-amine.
What is the SMILES notation for 4-bromo-1-ethylimidazol-2-amine?
The canonical SMILES for 4-bromo-1-ethylimidazol-2-amine is CCn1cc(Br)nc1N.
What is the InChIKey of 4-bromo-1-ethylimidazol-2-amine?
The InChIKey is JPKJZLZAIYLTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c1-2-9-3-4(6)8-5(9)7/h3H,2H2,1H3,(H2,7,8).
What are the key properties of 4-bromo-1-ethylimidazol-2-amine?
4-bromo-1-ethylimidazol-2-amine has a molecular weight of 190.04 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethylimidazol-2-amine is sourced from PubChem (CID 117189629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).