N-[(E)-1,3-benzodioxol-5-ylmethylidene]-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine

Base Information

• Chemical Name: N-[(E)-1,3-benzodioxol-5-ylmethylidene]-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
• CAS No.: 5559-05-7
• Molecular Formula: C33H47 N5 O7 S . Na
• Molecular Weight: 376.4516
• DSSTox Substance ID: DTXSID20430345
• ChEMBL ID: CHEMBL3191002

Synonyms:SMR000034141;N-[(E)-1,3-benzodioxol-5-ylmethylidene]-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine;5559-05-7;MLS000038974;MLS002581393;CHEMBL3191002;DTXSID20430345;HMS1608N12;CCG-11595;STK213154;AKOS001604121;BIM-0024775.P001;(E)-1-(2H-1,3-BENZODIOXOL-5-YL)-N-{1-[2-(PIPERIDIN-1-YL)ETHYL]-1H-1,3-BENZODIAZOL-2-YL}METHANIMINE

Chemical Property of N-[(E)-1,3-benzodioxol-5-ylmethylidene]-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 567.7°Cat760mmHg
• Flash Point: 297.1°C
• Density: 1.3g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 376.18992602
• Heavy Atom Count: 28
• Complexity: 539

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CCN2C3=CC=CC=C3N=C2N=CC4=CC5=C(C=C4)OCO5
• Isomeric SMILES: C1CCN(CC1)CCN2C3=CC=CC=C3N=C2/N=C/C4=CC5=C(C=C4)OCO5

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