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

C13H17N3O2 — CID 43650913

IUPAC2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCOc1ccc(OC)c(-c2cnc(CCN)[nH]2)c1
InChIInChI=1S/C13H17N3O2/c1-17-9-3-4-12(18-2)10(7-9)11-8-15-13(16-11)5-6-14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyBYEBWBDLTXBOMT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.60
Rot. Bonds5

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

2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 43650913) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
PubChem CID43650913
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCOc1ccc(OC)c(-c2cnc(CCN)[nH]2)c1
InChIInChI=1S/C13H17N3O2/c1-17-9-3-4-12(18-2)10(7-9)11-8-15-13(16-11)5-6-14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyBYEBWBDLTXBOMT-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-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650816
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273
2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95467419
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65233468
5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61364707
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65459802
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853832
2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole
CID 116878196
2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82301218
[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine (CID 43650913) is 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine is COc1ccc(OC)c(-c2cnc(CCN)[nH]2)c1.
What is the InChIKey of 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is BYEBWBDLTXBOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-9-3-4-12(18-2)10(7-9)11-8-15-13(16-11)5-6-14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine?
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-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-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 43650913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).