N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine

• ChemBase ID: 171580
• Molecular Formular: C12H15N3
• Molecular Mass: 201.2676
• Monoisotopic Mass: 201.1265975
• SMILES: c1ccc2c(c1NC1=NCCN1)CCC2
• Canonical SMILES: C1CN=C(N1)Nc1cccc2c1CCC2
• InChI: InChI=1S/C12H15N3/c1-3-9-4-2-6-11(10(9)5-1)15-12-13-7-8-14-12/h2,4,6H,1,3,5,7-8H2,(H2,13,14,15)
• InChIKey: KUCWWEPJRBANHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine
• Synonyms: N-(2,3-Dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine; 2-(4-Indanamino)-2-imidazoline; Indanazoline

Database IDs

• CAS Number: 40507-78-6
• PubChem SID: 164227490
• PubChem CID: 65979

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.1266303
• LogD (pH = 7.4): 0.11456441
• Log P: 2.284685
• Molar Refractivity: 62.3604 cm^3
• Polarizability: 22.761927 Å^3
• Polar Surface Area: 36.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - I499800

Indanazoline is a sympathomimetic imidazoline derivative. Cyclopentamine showed vasoconstrictive action after local or intravenous applications.

REFERENCES

• Kretzschmar, R. et al.: Arzneim.-Forsch., 30, 1746 (1980)