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

C13H14BrN3O — CID 62224515

IUPAC5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2cc(Br)ccc2OC)c1N
InChIInChI=1S/C13H14BrN3O/c1-3-6-17-8-16-12(13(17)15)10-7-9(14)4-5-11(10)18-2/h3-5,7-8H,1,6,15H2,2H3
InChIKeyAYVAMUBBFXWTTK-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.09
Rot. Bonds4

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

5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine (PubChem CID 62224515) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine
PubChem CID62224515
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2cc(Br)ccc2OC)c1N
InChIInChI=1S/C13H14BrN3O/c1-3-6-17-8-16-12(13(17)15)10-7-9(14)4-5-11(10)18-2/h3-5,7-8H,1,6,15H2,2H3
InChIKeyAYVAMUBBFXWTTK-UHFFFAOYSA-N
XLogP3.09
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine
CID 62018290
5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine
CID 62019600
5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62224005
5-(4-methoxy-3-methylphenyl)-3-prop-2-enylimidazol-4-amine
CID 62226555
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine
CID 115349585
5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine
CID 114859665
3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine
CID 62019246
5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
CID 79584687
6-bromo-2-(5-bromo-2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618959
5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62019226
5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine
CID 62224158
5-(5-bromo-2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62017562

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine (CID 62224515) is 5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine is C=CCn1cnc(-c2cc(Br)ccc2OC)c1N.
What is the InChIKey of 5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is AYVAMUBBFXWTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-3-6-17-8-16-12(13(17)15)10-7-9(14)4-5-11(10)18-2/h3-5,7-8H,1,6,15H2,2H3.
What are the key properties of 5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine?
5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 308.18 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62224515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).