2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine

C13H17N3O2 — CID 39101589

IUPAC2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc[nH]c2CCN)c(OC)c1
InChIInChI=1S/C13H17N3O2/c1-17-9-3-4-10(12(7-9)18-2)13-11(5-6-14)15-8-16-13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyUDGIONSZROTRGK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.60
Rot. Bonds5

About 2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine

2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 39101589) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine
PubChem CID39101589
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc[nH]c2CCN)c(OC)c1
InChIInChI=1S/C13H17N3O2/c1-17-9-3-4-10(12(7-9)18-2)13-11(5-6-14)15-8-16-13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyUDGIONSZROTRGK-UHFFFAOYSA-N
XLogP1.60
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 82285156
2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 95457147
[4-(2,4-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82129188
2-(2,4-dimethoxyphenyl)-3-methoxypyridin-4-amine
CID 77093303
2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82304592
4-(2,4-dimethoxyphenyl)-2,6-dimethylpyrimidin-5-amine
CID 82484014
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852116
1-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43649844
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine
CID 66479632
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine (CID 39101589) is 2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine is COc1ccc(-c2nc[nH]c2CCN)c(OC)c1.
What is the InChIKey of 2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is UDGIONSZROTRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-9-3-4-10(12(7-9)18-2)13-11(5-6-14)15-8-16-13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine?
2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 39101589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).