1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine

C11H12BrN3 — CID 82968273

IUPAC1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine
SMILESCC(N)c1cc(Br)ccc1-n1ccnc1
InChIInChI=1S/C11H12BrN3/c1-8(13)10-6-9(12)2-3-11(10)15-5-4-14-7-15/h2-8H,13H2,1H3
InChIKeyGTOYWVKZJBIRSL-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.65
Rot. Bonds2

About 1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine

1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine (PubChem CID 82968273) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine
PubChem CID82968273
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine
SMILESCC(N)c1cc(Br)ccc1-n1ccnc1
InChIInChI=1S/C11H12BrN3/c1-8(13)10-6-9(12)2-3-11(10)15-5-4-14-7-15/h2-8H,13H2,1H3
InChIKeyGTOYWVKZJBIRSL-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine (CID 82968273) is 1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine is CC(N)c1cc(Br)ccc1-n1ccnc1.
What is the InChIKey of 1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine?
The InChIKey is GTOYWVKZJBIRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8(13)10-6-9(12)2-3-11(10)15-5-4-14-7-15/h2-8H,13H2,1H3.
What are the key properties of 1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine?
1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine has a molecular weight of 266.14 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 82968273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).