5-bromo-N-ethyl-1-methylimidazol-2-amine

C₆H₁₀BrN₃ — CID 117190521

About 5-bromo-N-ethyl-1-methylimidazol-2-amine

5-bromo-N-ethyl-1-methylimidazol-2-amine (PubChem CID 117190521) has the molecular formula C₆H₁₀BrN₃ and a molecular weight of 204.07 g/mol. Its IUPAC name is 5-bromo-N-ethyl-1-methylimidazol-2-amine.

Molecular Properties

• Compound Name: 5-bromo-N-ethyl-1-methylimidazol-2-amine
• PubChem CID: 117190521
• Molecular Formula: C₆H₁₀BrN₃
• Molecular Weight: 204.07 g/mol
• Exact Mass: 203.01
• IUPAC Name: 5-bromo-N-ethyl-1-methylimidazol-2-amine
• SMILES: CCNc1ncc(Br)n1C
• InChI: InChI=1S/C6H10BrN3/c1-3-8-6-9-4-5(7)10(6)2/h4H,3H2,1-2H3,(H,8,9)
• InChIKey: CLPXXNAQAKUVEW-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 29.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	204.07
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-1-methylimidazol-2-amine?

The IUPAC name of 5-bromo-N-ethyl-1-methylimidazol-2-amine (CID 117190521) is 5-bromo-N-ethyl-1-methylimidazol-2-amine.

What is the SMILES notation for 5-bromo-N-ethyl-1-methylimidazol-2-amine?

The canonical SMILES for 5-bromo-N-ethyl-1-methylimidazol-2-amine is CCNc1ncc(Br)n1C.

What is the InChIKey of 5-bromo-N-ethyl-1-methylimidazol-2-amine?

The InChIKey is CLPXXNAQAKUVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3/c1-3-8-6-9-4-5(7)10(6)2/h4H,3H2,1-2H3,(H,8,9).

What are the key properties of 5-bromo-N-ethyl-1-methylimidazol-2-amine?

5-bromo-N-ethyl-1-methylimidazol-2-amine has a molecular weight of 204.07 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-ethyl-1-methylimidazol-2-amine is sourced from PubChem (CID 117190521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117190521 — identifiers, structure, computed properties (public domain)

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