5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine

C13H16BrN3O2 — CID 79510062

IUPAC5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCN1C(N)=NCC1c1cc(Br)c2c(c1)OCO2
InChIInChI=1S/C13H16BrN3O2/c1-2-3-17-10(6-16-13(17)15)8-4-9(14)12-11(5-8)18-7-19-12/h4-5,10H,2-3,6-7H2,1H3,(H2,15,16)
InChIKeyBJSQUCLKTJJCLL-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.26
Rot. Bonds3

About 5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine

5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine (PubChem CID 79510062) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine
PubChem CID79510062
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCN1C(N)=NCC1c1cc(Br)c2c(c1)OCO2
InChIInChI=1S/C13H16BrN3O2/c1-2-3-17-10(6-16-13(17)15)8-4-9(14)12-11(5-8)18-7-19-12/h4-5,10H,2-3,6-7H2,1H3,(H2,15,16)
InChIKeyBJSQUCLKTJJCLL-UHFFFAOYSA-N
XLogP2.26
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-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-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine (CID 79510062) is 5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine is CCCN1C(N)=NCC1c1cc(Br)c2c(c1)OCO2.
What is the InChIKey of 5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine?
The InChIKey is BJSQUCLKTJJCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-2-3-17-10(6-16-13(17)15)8-4-9(14)12-11(5-8)18-7-19-12/h4-5,10H,2-3,6-7H2,1H3,(H2,15,16).
What are the key properties of 5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine?
5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine has a molecular weight of 326.19 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-1,3-benzodioxol-5-yl)-1-propyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79510062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).