5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine

C12H11BrFN3 — CID 55047923

IUPAC5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2cc(Br)ccc2F)c1N
InChIInChI=1S/C12H11BrFN3/c1-2-5-17-7-16-11(12(17)15)9-6-8(13)3-4-10(9)14/h2-4,6-7H,1,5,15H2
InChIKeyXYEFDSKWAOSQCY-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.22
Rot. Bonds3

About 5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine

5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine (PubChem CID 55047923) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine
PubChem CID55047923
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2cc(Br)ccc2F)c1N
InChIInChI=1S/C12H11BrFN3/c1-2-5-17-7-16-11(12(17)15)9-6-8(13)3-4-10(9)14/h2-4,6-7H,1,5,15H2
InChIKeyXYEFDSKWAOSQCY-UHFFFAOYSA-N
XLogP3.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine (CID 55047923) is 5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine is C=CCn1cnc(-c2cc(Br)ccc2F)c1N.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is XYEFDSKWAOSQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-2-5-17-7-16-11(12(17)15)9-6-8(13)3-4-10(9)14/h2-4,6-7H,1,5,15H2.
What are the key properties of 5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine?
5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 296.14 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 55047923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).