5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine

C12H14BrN3O — CID 62018290

IUPAC5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine
SMILESCCn1cnc(-c2cc(Br)ccc2OC)c1N
InChIInChI=1S/C12H14BrN3O/c1-3-16-7-15-11(12(16)14)9-6-8(13)4-5-10(9)17-2/h4-7H,3,14H2,1-2H3
InChIKeyVCTAYKWTQMYELH-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.92
Rot. Bonds3

About 5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine

5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine (PubChem CID 62018290) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine
PubChem CID62018290
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine
SMILESCCn1cnc(-c2cc(Br)ccc2OC)c1N
InChIInChI=1S/C12H14BrN3O/c1-3-16-7-15-11(12(16)14)9-6-8(13)4-5-10(9)17-2/h4-7H,3,14H2,1-2H3
InChIKeyVCTAYKWTQMYELH-UHFFFAOYSA-N
XLogP2.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine
CID 62019600
5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine
CID 62224515
3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
CID 65096261
3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine
CID 62019246
5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62019226
5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 62221059
5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 62219092
6-bromo-2-(5-bromo-2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618959
3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine
CID 62019037
5-(5-bromo-2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62017562
5-(2-chlorophenyl)-3-ethylimidazol-4-amine
CID 62018842
5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62224005

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine?
The IUPAC name of 5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine (CID 62018290) is 5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine.
What is the SMILES notation for 5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine?
The canonical SMILES for 5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine is CCn1cnc(-c2cc(Br)ccc2OC)c1N.
What is the InChIKey of 5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine?
The InChIKey is VCTAYKWTQMYELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-3-16-7-15-11(12(16)14)9-6-8(13)4-5-10(9)17-2/h4-7H,3,14H2,1-2H3.
What are the key properties of 5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine?
5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine has a molecular weight of 296.17 g/mol, XLogP of 2.92, 3 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-ethylimidazol-4-amine is sourced from PubChem (CID 62018290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).