[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine

C11H12BrN3O — CID 82307343

IUPAC[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
SMILESCOc1ccc(Br)cc1-c1cnc(CN)[nH]1
InChIInChI=1S/C11H12BrN3O/c1-16-10-3-2-7(12)4-8(10)9-6-14-11(5-13)15-9/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyONJJQGBZTKKIMV-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.31
Rot. Bonds3

About [5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine

[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine (PubChem CID 82307343) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is [5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
PubChem CID82307343
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
SMILESCOc1ccc(Br)cc1-c1cnc(CN)[nH]1
InChIInChI=1S/C11H12BrN3O/c1-16-10-3-2-7(12)4-8(10)9-6-14-11(5-13)15-9/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyONJJQGBZTKKIMV-UHFFFAOYSA-N
XLogP2.31
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243
5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 116877631
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882865
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882722
2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutanenitrile
CID 116883231
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882773
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650816
[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878261
[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879145

Frequently Asked Questions

What is the IUPAC name of [5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of [5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine (CID 82307343) is [5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine is COc1ccc(Br)cc1-c1cnc(CN)[nH]1.
What is the InChIKey of [5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine?
The InChIKey is ONJJQGBZTKKIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-16-10-3-2-7(12)4-8(10)9-6-14-11(5-13)15-9/h2-4,6H,5,13H2,1H3,(H,14,15).
What are the key properties of [5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine?
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine has a molecular weight of 282.14 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 82307343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).