5-phenyl-1H,2H,3H,5H,6H-imidazo[1,2-a]imidazolidine

• ChemBase ID: 127797
• Molecular Formular: C11H13N3
• Molecular Mass: 187.24102
• Monoisotopic Mass: 187.11094743
• SMILES: N1=C2NCCN2C(c2ccccc2)C1
• Canonical SMILES: C1CN2C(=NCC2c2ccccc2)N1
• InChI: InChI=1S/C11H13N3/c1-2-4-9(5-3-1)10-8-13-11-12-6-7-14(10)11/h1-5,10H,6-8H2,(H,12,13)
• InChIKey: VVLJQSJNPKNTAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-1H,2H,3H,5H,6H-imidazo[1,2-a]imidazolidine
• IUPAC Traditional name: imafen
• Synonyms: Imafen

Database IDs

• CAS Number: 53361-23-2
• PubChem SID: 162222115
• PubChem CID: 163316
• Chemspider ID: 143324
• KEGG ID: D00974
• Unique Ingredient Identifier: 43S5D07K8G
• Wikipedia Title: Imafen

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1698061
• LogD (pH = 7.4): -1.1373173
• Log P: 1.2452222
• Molar Refractivity: 55.5293 cm^3
• Polarizability: 21.07333 Å^3
• Polar Surface Area: 27.63 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true