4,5-dihydro-1H-imidazole

• ChemBase ID: 127804
• Molecular Formular: C3H6N2
• Molecular Mass: 70.09314
• Monoisotopic Mass: 70.0530982
• SMILES: N1=CNCC1
• Canonical SMILES: C1CNC=N1
• InChI: InChI=1S/C3H6N2/c1-2-5-3-4-1/h3H,1-2H2,(H,4,5)
• InChIKey: MTNDZQHUAFNZQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dihydro-1H-imidazole
• IUPAC Traditional name: imidazoline
• Synonyms: Imidazoline

Database IDs

• CAS Number: 504-75-6
• PubChem SID: 162222122
• PubChem CID: 68156
• CHEBI ID: 53094
• Chemspider ID: 61464
• Wikipedia Title: Imidazoline

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0924568
• LogD (pH = 7.4): -2.9366393
• Log P: -0.67939836
• Molar Refractivity: 19.8569 cm^3
• Polarizability: 7.3955708 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true