N-(2-(2-(4,5-Dicyano-1H-imidazol-2-yl)diazenyl)-5-(ethyl(phenylmethyl)amino)phenyl)acetamide

HCID 103142

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Basic information

CAS: 65072-49-3
Standard SMILES: CCN(Cc1ccccc1)c1ccc(N=Nc2nc(C#N)c(C#N)[nH]2)c(NC(C)=O)c1
InChIKey: DQQYTOTXOKNGHQ-UHFFFAOYSA-N
Molecular formula: C22H20N8O
Average molar mass: 412.4 g/mol
Monoisotopic mass: 412.17600729

Names & identifiers

Preferred name: N-(2-(2-(4,5-Dicyano-1H-imidazol-2-yl)diazenyl)-5-(ethyl(phenylmethyl)amino)phenyl)acetamide
IUPAC: N-[5-[benzyl(ethyl)amino]-2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]phenyl]acetamide

Names & synonyms

65072-49-3N-(2-(2-(4,5-Dicyano-1H-imidazol-2-yl)diazenyl)-5-(ethyl(phenylmethyl)amino)phenyl)acetamideN-[2-[2-(4,5-Dicyano-1H-imidazol-2-yl)diazenyl]-5-[ethyl(phenylmethyl)amino]phenyl]acetamideRefChem:360317Acetamide, N-[2-[(4,5-dicyano-1H-imidazol-2-yl)azo]-5-[ethyl(phenylmethyl)amino]phenyl]-Acetamide, N-(2-((4,5-dicyano-1H-imidazol-2-yl)azo)-5-(ethyl(phenylmethyl)amino)phenyl)-5'-(Benzylethylamino)-2'-((4,5-dicyanoimidazol-2-yl)azo)acetanilideDTXSID7070181DQQYTOTXOKNGHQ-UHFFFAOYSA-NAcetamide, N-(2-(2-(4,5-dicyano-1H-imidazol-2-yl)diazenyl)-5-(ethyl(phenylmethyl)amino)phenyl)-N-{5-[Benzyl(ethyl)amino]-2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]phenyl}acetamide

Database identifiers

CAS: 65072-49-3
PubChem CID: 103142
DTXSID: DTXSID7070181
Nikkaji: J453.299F

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 133 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 31
Formal charge: 0
Complexity: 730

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetamide, N-[2-[2-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-5-[ethyl(phenylmethyl)amino]phenyl]-: INACTIVE

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