5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine

C17H24BrN3 — CID 66481274

IUPAC5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine
SMILESCCCn1c(C(C)(C)C)nc(-c2ccc(Br)c(C)c2)c1N
InChIInChI=1S/C17H24BrN3/c1-6-9-21-15(19)14(20-16(21)17(3,4)5)12-7-8-13(18)11(2)10-12/h7-8,10H,6,9,19H2,1-5H3
InChIKeyJJZCLAFRCYYSIR-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.91
Rot. Bonds3

About 5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine

5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine (PubChem CID 66481274) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine
PubChem CID66481274
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine
SMILESCCCn1c(C(C)(C)C)nc(-c2ccc(Br)c(C)c2)c1N
InChIInChI=1S/C17H24BrN3/c1-6-9-21-15(19)14(20-16(21)17(3,4)5)12-7-8-13(18)11(2)10-12/h7-8,10H,6,9,19H2,1-5H3
InChIKeyJJZCLAFRCYYSIR-UHFFFAOYSA-N
XLogP4.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-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-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine?
The IUPAC name of 5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine (CID 66481274) is 5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine.
What is the SMILES notation for 5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine?
The canonical SMILES for 5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine is CCCn1c(C(C)(C)C)nc(-c2ccc(Br)c(C)c2)c1N.
What is the InChIKey of 5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine?
The InChIKey is JJZCLAFRCYYSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-6-9-21-15(19)14(20-16(21)17(3,4)5)12-7-8-13(18)11(2)10-12/h7-8,10H,6,9,19H2,1-5H3.
What are the key properties of 5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine?
5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine has a molecular weight of 350.30 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine is sourced from PubChem (CID 66481274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).