5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

C13H17BrClN3 — CID 79496464

IUPAC5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1c1cc(Cl)ccc1Br
InChIInChI=1S/C13H17BrClN3/c1-8(2)7-18-12(6-17-13(18)16)10-5-9(15)3-4-11(10)14/h3-5,8,12H,6-7H2,1-2H3,(H2,16,17)
InChIKeyADOLXUQHIDOXGX-UHFFFAOYSA-N
MW330.66 g/mol
LogP3.43
Rot. Bonds3

About 5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79496464) has the molecular formula C13H17BrClN3 and a molecular weight of 330.66 g/mol. Its IUPAC name is 5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID79496464
Molecular FormulaC13H17BrClN3
Molecular Weight330.66 g/mol
Exact Mass329.03
IUPAC Name5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1c1cc(Cl)ccc1Br
InChIInChI=1S/C13H17BrClN3/c1-8(2)7-18-12(6-17-13(18)16)10-5-9(15)3-4-11(10)14/h3-5,8,12H,6-7H2,1-2H3,(H2,16,17)
InChIKeyADOLXUQHIDOXGX-UHFFFAOYSA-N
XLogP3.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.66
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-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-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (CID 79496464) is 5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is CC(C)CN1C(N)=NCC1c1cc(Cl)ccc1Br.
What is the InChIKey of 5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is ADOLXUQHIDOXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN3/c1-8(2)7-18-12(6-17-13(18)16)10-5-9(15)3-4-11(10)14/h3-5,8,12H,6-7H2,1-2H3,(H2,16,17).
What are the key properties of 5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 330.66 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79496464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).