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

C12H15N3 — CID 653440

IUPAC5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine
SMILESCc1ccc(-c2cnc(N)n2C)cc1C
InChIInChI=1S/C12H15N3/c1-8-4-5-10(6-9(8)2)11-7-14-12(13)15(11)3/h4-7H,1-3H3,(H2,13,14)
InChIKeyUKZVQTXBNUIHDK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.29
Rot. Bonds1

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

5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine (PubChem CID 653440) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine
PubChem CID653440
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine
SMILESCc1ccc(-c2cnc(N)n2C)cc1C
InChIInChI=1S/C12H15N3/c1-8-4-5-10(6-9(8)2)11-7-14-12(13)15(11)3/h4-7H,1-3H3,(H2,13,14)
InChIKeyUKZVQTXBNUIHDK-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-(3,4-dimethylphenyl)-1-methylimidazol-2-amine?
The IUPAC name of 5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine (CID 653440) is 5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine is Cc1ccc(-c2cnc(N)n2C)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine?
The InChIKey is UKZVQTXBNUIHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-4-5-10(6-9(8)2)11-7-14-12(13)15(11)3/h4-7H,1-3H3,(H2,13,14).
What are the key properties of 5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine?
5-(3,4-dimethylphenyl)-1-methylimidazol-2-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-(3,4-dimethylphenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 653440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).