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

C6H10BrN3 — CID 117190521

IUPAC5-bromo-N-ethyl-1-methylimidazol-2-amine
SMILESCCNc1ncc(Br)n1C
InChIInChI=1S/C6H10BrN3/c1-3-8-6-9-4-5(7)10(6)2/h4H,3H2,1-2H3,(H,8,9)
InChIKeyCLPXXNAQAKUVEW-UHFFFAOYSA-N
MW204.07 g/mol
LogP1.61
Rot. Bonds2

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 Name5-bromo-N-ethyl-1-methylimidazol-2-amine
PubChem CID117190521
Molecular FormulaC6H10BrN3
Molecular Weight204.07 g/mol
Exact Mass203.01
IUPAC Name5-bromo-N-ethyl-1-methylimidazol-2-amine
SMILESCCNc1ncc(Br)n1C
InChIInChI=1S/C6H10BrN3/c1-3-8-6-9-4-5(7)10(6)2/h4H,3H2,1-2H3,(H,8,9)
InChIKeyCLPXXNAQAKUVEW-UHFFFAOYSA-N
XLogP1.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).