5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine

C12H15N3 — CID 62017531

IUPAC5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine
SMILESCc1cccc(-c2ncn(C)c2N)c1C
InChIInChI=1S/C12H15N3/c1-8-5-4-6-10(9(8)2)11-12(13)15(3)7-14-11/h4-7H,13H2,1-3H3
InChIKeyIQECYKZYESZUTG-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.29
Rot. Bonds1

About 5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine

5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine (PubChem CID 62017531) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine
PubChem CID62017531
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine
SMILESCc1cccc(-c2ncn(C)c2N)c1C
InChIInChI=1S/C12H15N3/c1-8-5-4-6-10(9(8)2)11-12(13)15(3)7-14-11/h4-7H,13H2,1-3H3
InChIKeyIQECYKZYESZUTG-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine?
The IUPAC name of 5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine (CID 62017531) is 5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine?
The canonical SMILES for 5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine is Cc1cccc(-c2ncn(C)c2N)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine?
The InChIKey is IQECYKZYESZUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-5-4-6-10(9(8)2)11-12(13)15(3)7-14-11/h4-7H,13H2,1-3H3.
What are the key properties of 5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine?
5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine has a molecular weight of 201.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine is sourced from PubChem (CID 62017531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).