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

C12H15N3O2 — CID 82475495

IUPAC[1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine
SMILESCOc1ccc(OC)c(-n2cnc(CN)c2)c1
InChIInChI=1S/C12H15N3O2/c1-16-10-3-4-12(17-2)11(5-10)15-7-9(6-13)14-8-15/h3-5,7-8H,6,13H2,1-2H3
InChIKeyVRKRHEHGPWBDQB-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.35
Rot. Bonds4

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

[1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine (PubChem CID 82475495) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine
PubChem CID82475495
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine
SMILESCOc1ccc(OC)c(-n2cnc(CN)c2)c1
InChIInChI=1S/C12H15N3O2/c1-16-10-3-4-12(17-2)11(5-10)15-7-9(6-13)14-8-15/h3-5,7-8H,6,13H2,1-2H3
InChIKeyVRKRHEHGPWBDQB-UHFFFAOYSA-N
XLogP1.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 96662978
[1-(2-methoxyphenyl)imidazol-4-yl]methanamine
CID 82469793
2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 95467377
N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine
CID 114204311
[1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 66523707
N-[2-[1-(5-fluoro-2-methoxyphenyl)imidazol-4-yl]ethyl]acetamide
CID 50951321
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82198669
1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid
CID 82480116
2-(4-chloroimidazol-1-yl)-5-methoxyaniline
CID 174637805

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine?
The IUPAC name of [1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine (CID 82475495) is [1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine?
The canonical SMILES for [1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine is COc1ccc(OC)c(-n2cnc(CN)c2)c1.
What is the InChIKey of [1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine?
The InChIKey is VRKRHEHGPWBDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-10-3-4-12(17-2)11(5-10)15-7-9(6-13)14-8-15/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of [1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine?
[1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine has a molecular weight of 233.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 82475495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).