5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine

C12H15N3O2 — CID 6917239

IUPAC5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine
SMILESCOc1ccc(-c2cnc(N)n2C)cc1OC
InChIInChI=1S/C12H15N3O2/c1-15-9(7-14-12(15)13)8-4-5-10(16-2)11(6-8)17-3/h4-7H,1-3H3,(H2,13,14)
InChIKeySWPWUOLAFBVWHP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.69
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine

5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine (PubChem CID 6917239) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine
PubChem CID6917239
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine
SMILESCOc1ccc(-c2cnc(N)n2C)cc1OC
InChIInChI=1S/C12H15N3O2/c1-15-9(7-14-12(15)13)8-4-5-10(16-2)11(6-8)17-3/h4-7H,1-3H3,(H2,13,14)
InChIKeySWPWUOLAFBVWHP-UHFFFAOYSA-N
XLogP1.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyaniline
CID 82472145
5-(3,4-dimethoxyphenyl)-3-propylimidazol-4-amine
CID 62018479
6-(3,4-dimethoxyphenyl)-1,3-dimethylpyrimidine-2,4-dione
CID 14096465
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 107922532
5-(3,4-dimethoxyphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220657
2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 42281401
5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 166595375
5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67336502
[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 82131112
5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine
CID 86000885
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine (CID 6917239) is 5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine is COc1ccc(-c2cnc(N)n2C)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine?
The InChIKey is SWPWUOLAFBVWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-9(7-14-12(15)13)8-4-5-10(16-2)11(6-8)17-3/h4-7H,1-3H3,(H2,13,14).
What are the key properties of 5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine?
5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine has a molecular weight of 233.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 6917239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).