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

C14H16BrN3O — CID 62224005

IUPAC5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2cc(Br)ccc2OC)c1N
InChIInChI=1S/C14H16BrN3O/c1-4-7-18-9(2)17-13(14(18)16)11-8-10(15)5-6-12(11)19-3/h4-6,8H,1,7,16H2,2-3H3
InChIKeyGWEUDRWNEJPOPS-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.40
Rot. Bonds4

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

5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine (PubChem CID 62224005) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
PubChem CID62224005
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2cc(Br)ccc2OC)c1N
InChIInChI=1S/C14H16BrN3O/c1-4-7-18-9(2)17-13(14(18)16)11-8-10(15)5-6-12(11)19-3/h4-6,8H,1,7,16H2,2-3H3
InChIKeyGWEUDRWNEJPOPS-UHFFFAOYSA-N
XLogP3.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.40
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-(2,4-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62224887
5-(4-methoxy-3-methylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62224174
5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine
CID 62224515
5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62224004
5-(2-ethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62225255
5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 62219092
2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine
CID 62224177
5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 53275761
6-bromo-2-(5-bromo-2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618959
2-(5-bromo-2-methoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 63617266
5-(3,5-dimethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62225256
5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 62221059

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine (CID 62224005) is 5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine is C=CCn1c(C)nc(-c2cc(Br)ccc2OC)c1N.
What is the InChIKey of 5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The InChIKey is GWEUDRWNEJPOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-4-7-18-9(2)17-13(14(18)16)11-8-10(15)5-6-12(11)19-3/h4-6,8H,1,7,16H2,2-3H3.
What are the key properties of 5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.40, 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)-2-methyl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62224005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).