5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine

C12H15N3O2 — CID 82475498

IUPAC5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine
SMILESCOc1ccc(-c2[nH]c(C)nc2N)cc1OC
InChIInChI=1S/C12H15N3O2/c1-7-14-11(12(13)15-7)8-4-5-9(16-2)10(6-8)17-3/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyPQBGIBXQWPQIGR-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.98
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine

5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine (PubChem CID 82475498) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine
PubChem CID82475498
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine
SMILESCOc1ccc(-c2[nH]c(C)nc2N)cc1OC
InChIInChI=1S/C12H15N3O2/c1-7-14-11(12(13)15-7)8-4-5-9(16-2)10(6-8)17-3/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyPQBGIBXQWPQIGR-UHFFFAOYSA-N
XLogP1.98
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82302560
2-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025255
2-(3,4-dimethoxyphenyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 62191896
4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 154287281
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 116646948
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine
CID 86000885
3-(3,4-dimethoxyphenyl)quinolin-2-amine
CID 1480774
4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 63867126
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 856329

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine (CID 82475498) is 5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine is COc1ccc(-c2[nH]c(C)nc2N)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine?
The InChIKey is PQBGIBXQWPQIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-14-11(12(13)15-7)8-4-5-9(16-2)10(6-8)17-3/h4-6H,13H2,1-3H3,(H,14,15).
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine?
5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine is sourced from PubChem (CID 82475498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).