Adibendan

Base Information

• Chemical Name: Adibendan
• CAS No.: 100510-33-6
• Molecular Formula: C16H14 N4 O
• Molecular Weight: 278.31
• UNII: E87N3L27KX
• DSSTox Substance ID: DTXSID30143358
• Nikkaji Number: J227.672K
• Wikipedia: Adibendan
• Wikidata: Q15633948
• NCI Thesaurus Code: C74350
• ChEMBL ID: CHEMBL25931
• Mol file: 100510-33-6.mol

Synonyms:7,7-dimethyl-2-(4-pyridyl)-6,7-dihydro-3H,5H pyrrolo (2,3-f)benz-imidazol-6-one;adibendan;BM 14.478;BM 14478;BM-14478

Chemical Property of Adibendan

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 74.16000
• Density: 1.302g/cm³
• LogP: 2.93970
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 278.11676108
• Heavy Atom Count: 21
• Complexity: 432

Purity/Quality:

98%min ^*data from raw suppliers

ADIBENDAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=CC3=C(C=C2NC1=O)N=C(N3)C4=CC=NC=C4)C