5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine

C14H17BrClN3 — CID 83230987

IUPAC5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
SMILESCc1nc(-c2ccc(Cl)c(Br)c2)c(N)n1CC(C)C
InChIInChI=1S/C14H17BrClN3/c1-8(2)7-19-9(3)18-13(14(19)17)10-4-5-12(16)11(15)6-10/h4-6,8H,7,17H2,1-3H3
InChIKeyZQRZHXWWGSXKCA-UHFFFAOYSA-N
MW342.67 g/mol
LogP4.51
Rot. Bonds3

About 5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine

5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine (PubChem CID 83230987) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
PubChem CID83230987
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
SMILESCc1nc(-c2ccc(Cl)c(Br)c2)c(N)n1CC(C)C
InChIInChI=1S/C14H17BrClN3/c1-8(2)7-19-9(3)18-13(14(19)17)10-4-5-12(16)11(15)6-10/h4-6,8H,7,17H2,1-3H3
InChIKeyZQRZHXWWGSXKCA-UHFFFAOYSA-N
XLogP4.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-bromo-4-chlorophenyl)-2-methyl-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-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine?
The IUPAC name of 5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine (CID 83230987) is 5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine.
What is the SMILES notation for 5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine?
The canonical SMILES for 5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine is Cc1nc(-c2ccc(Cl)c(Br)c2)c(N)n1CC(C)C.
What is the InChIKey of 5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine?
The InChIKey is ZQRZHXWWGSXKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-8(2)7-19-9(3)18-13(14(19)17)10-4-5-12(16)11(15)6-10/h4-6,8H,7,17H2,1-3H3.
What are the key properties of 5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine?
5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine has a molecular weight of 342.67 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine is sourced from PubChem (CID 83230987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).