Prenyl-IN-1

Base Information

• Chemical Name: Prenyl-IN-1
• CAS No.: 360561-53-1
• Molecular Formula: C28H24ClN5O2
• DSSTox Substance ID: DTXSID301113348
• Nikkaji Number: J1.546.169A
• ChEMBL ID: CHEMBL31031
• Mol file: 360561-53-1.mol

Synonyms:Prenyl-IN-1;360561-53-1;CHEMBL31031;SCHEMBL2280782;DTXSID301113348;BDBM50100006;HY-U00327;AKOS040732576;CS-7345;2-Phenoxy-4-[5-[3-oxo-4-(3-chlorophenyl)piperazinomethyl]-1-imidazolylmethyl]benzonitrile;4-[[5-[[4-(3-Chlorophenyl)-3-oxo-1-piperazinyl]methyl]-1H-imidazol-1-yl]methyl]-2-phenoxybenzonitrile;4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmethyl]-imidazol-1-ylmethyl}-2-phenoxy-benzonitrile

Chemical Property of Prenyl-IN-1

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 497.1618527
• Heavy Atom Count: 36
• Complexity: 783

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1CN(C(=O)CN1CC2=CN=CN2CC3=CC(=C(C=C3)C#N)OC4=CC=CC=C4)C5=CC(=CC=C5)Cl

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