5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine

C13H16BrN3O2 — CID 84606683

IUPAC5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine
SMILESCOc1ccc(-c2nc(N)n(C)c2Br)c(OC)c1C
InChIInChI=1S/C13H16BrN3O2/c1-7-9(18-3)6-5-8(11(7)19-4)10-12(14)17(2)13(15)16-10/h5-6H,1-4H3,(H2,15,16)
InChIKeyIWJAOCZRUVJSIR-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.76
Rot. Bonds3

About 5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine

5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine (PubChem CID 84606683) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine
PubChem CID84606683
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine
SMILESCOc1ccc(-c2nc(N)n(C)c2Br)c(OC)c1C
InChIInChI=1S/C13H16BrN3O2/c1-7-9(18-3)6-5-8(11(7)19-4)10-12(14)17(2)13(15)16-10/h5-6H,1-4H3,(H2,15,16)
InChIKeyIWJAOCZRUVJSIR-UHFFFAOYSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxy-3-methylphenyl)-2,6-dimethylpyrimidin-5-amine
CID 96669062
2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
CID 116968047
[4-(2,4-dimethoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82302244
5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole
CID 116869160
[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82485187
5-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyridin-2-amine
CID 103523655
[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine
CID 84606680
[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
CID 82480208
5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827447
2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine
CID 82301107
4-methoxy-2,3-dimethylaniline
CID 11094809
6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 103524053

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine?
The IUPAC name of 5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine (CID 84606683) is 5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for 5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine?
The canonical SMILES for 5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine is COc1ccc(-c2nc(N)n(C)c2Br)c(OC)c1C.
What is the InChIKey of 5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine?
The InChIKey is IWJAOCZRUVJSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-7-9(18-3)6-5-8(11(7)19-4)10-12(14)17(2)13(15)16-10/h5-6H,1-4H3,(H2,15,16).
What are the key properties of 5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine?
5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine has a molecular weight of 326.19 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 84606683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).