5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine

C14H19N3 — CID 62018503

IUPAC5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCc1ccc(-c2ncn(CC(C)C)c2N)cc1
InChIInChI=1S/C14H19N3/c1-10(2)8-17-9-16-13(14(17)15)12-6-4-11(3)5-7-12/h4-7,9-10H,8,15H2,1-3H3
InChIKeyQKXJQGVCLAHUJI-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.10
Rot. Bonds3

About 5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine

5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine (PubChem CID 62018503) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine
PubChem CID62018503
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCc1ccc(-c2ncn(CC(C)C)c2N)cc1
InChIInChI=1S/C14H19N3/c1-10(2)8-17-9-16-13(14(17)15)12-6-4-11(3)5-7-12/h4-7,9-10H,8,15H2,1-3H3
InChIKeyQKXJQGVCLAHUJI-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine?
The IUPAC name of 5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine (CID 62018503) is 5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine.
What is the SMILES notation for 5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine?
The canonical SMILES for 5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine is Cc1ccc(-c2ncn(CC(C)C)c2N)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine?
The InChIKey is QKXJQGVCLAHUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)8-17-9-16-13(14(17)15)12-6-4-11(3)5-7-12/h4-7,9-10H,8,15H2,1-3H3.
What are the key properties of 5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine?
5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine has a molecular weight of 229.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine is sourced from PubChem (CID 62018503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).