[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine

C13H16BrN3O2 — CID 84606680

IUPAC[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine
SMILESCOc1ccc(OC)c(-c2nc(CN)n(C)c2Br)c1
InChIInChI=1S/C13H16BrN3O2/c1-17-11(7-15)16-12(13(17)14)9-6-8(18-2)4-5-10(9)19-3/h4-6H,7,15H2,1-3H3
InChIKeyLUSXGJNXDMJFBW-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.33
Rot. Bonds4

About [5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine

[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine (PubChem CID 84606680) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is [5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine
PubChem CID84606680
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine
SMILESCOc1ccc(OC)c(-c2nc(CN)n(C)c2Br)c1
InChIInChI=1S/C13H16BrN3O2/c1-17-11(7-15)16-12(13(17)14)9-6-8(18-2)4-5-10(9)19-3/h4-6H,7,15H2,1-3H3
InChIKeyLUSXGJNXDMJFBW-UHFFFAOYSA-N
XLogP2.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
CID 82478923
4-(2,5-dimethoxyphenyl)-2-propylimidazole-1,5-diamine
CID 62506594
6-bromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618087
2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 94693410
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008127
[5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine
CID 106887065
3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one
CID 82189721
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
[2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721409
[2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine
CID 95467379
[3-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 82354571

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine?
The IUPAC name of [5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine (CID 84606680) is [5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine.
What is the SMILES notation for [5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine?
The canonical SMILES for [5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine is COc1ccc(OC)c(-c2nc(CN)n(C)c2Br)c1.
What is the InChIKey of [5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine?
The InChIKey is LUSXGJNXDMJFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-17-11(7-15)16-12(13(17)14)9-6-8(18-2)4-5-10(9)19-3/h4-6H,7,15H2,1-3H3.
What are the key properties of [5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine?
[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine has a molecular weight of 326.19 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine is sourced from PubChem (CID 84606680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).