[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine

C12H15N3O — CID 82285142

IUPAC[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
SMILESCOc1ccc(-c2nc(CN)c(C)[nH]2)cc1
InChIInChI=1S/C12H15N3O/c1-8-11(7-13)15-12(14-8)9-3-5-10(16-2)6-4-9/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyXJEHMBYRGMVWQY-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.85
Rot. Bonds3

About [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine

[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine (PubChem CID 82285142) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
PubChem CID82285142
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
SMILESCOc1ccc(-c2nc(CN)c(C)[nH]2)cc1
InChIInChI=1S/C12H15N3O/c1-8-11(7-13)15-12(14-8)9-3-5-10(16-2)6-4-9/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyXJEHMBYRGMVWQY-UHFFFAOYSA-N
XLogP1.85
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82289204
2-(4-methoxyphenyl)-5-methyl-4-propyl-1H-imidazole
CID 160651748
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride
CID 22412365
[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine
CID 82288528
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125
4-[4-(hydroxymethyl)-5-methyl-1H-imidazol-2-yl]phenol
CID 135671336
5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline
CID 61394076
2-(4-methoxyphenyl)-5-methyl-4-[4-[[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methyl]phenyl]-1H-imidazole
CID 142406883
2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine
CID 82293864
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole
CID 123981198
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine?
The IUPAC name of [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine (CID 82285142) is [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine.
What is the SMILES notation for [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine?
The canonical SMILES for [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine is COc1ccc(-c2nc(CN)c(C)[nH]2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine?
The InChIKey is XJEHMBYRGMVWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-11(7-13)15-12(14-8)9-3-5-10(16-2)6-4-9/h3-6H,7,13H2,1-2H3,(H,14,15).
What are the key properties of [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine?
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine is sourced from PubChem (CID 82285142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).