1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine

C7H10BrN3 — CID 175437463

IUPAC1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine
SMILESC=Cn1ccnc1C(C)(N)Br
InChIInChI=1S/C7H10BrN3/c1-3-11-5-4-10-6(11)7(2,8)9/h3-5H,1,9H2,2H3
InChIKeyJRMCCCCIZQNVHN-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.51
Rot. Bonds2

About 1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine

1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine (PubChem CID 175437463) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine
PubChem CID175437463
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine
SMILESC=Cn1ccnc1C(C)(N)Br
InChIInChI=1S/C7H10BrN3/c1-3-11-5-4-10-6(11)7(2,8)9/h3-5H,1,9H2,2H3
InChIKeyJRMCCCCIZQNVHN-UHFFFAOYSA-N
XLogP1.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine?
The IUPAC name of 1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine (CID 175437463) is 1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine is C=Cn1ccnc1C(C)(N)Br.
What is the InChIKey of 1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine?
The InChIKey is JRMCCCCIZQNVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c1-3-11-5-4-10-6(11)7(2,8)9/h3-5H,1,9H2,2H3.
What are the key properties of 1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine?
1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine has a molecular weight of 216.08 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine is sourced from PubChem (CID 175437463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).