N1,N4-Bis(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-1,4-benzenedicarboxamide

HCID 8245

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Basic information

CAS: 537-66-6
Standard SMILES: O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(NC3=NCCN3)cc2)cc1
InChIKey: HNIHDEWKXWMRLL-UHFFFAOYSA-N
Molecular formula: C26H26N8O2
Average molar mass: 482.5 g/mol
Monoisotopic mass: 482.2178721

Names & identifiers

Preferred name: N1,N4-Bis(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-1,4-benzenedicarboxamide
IUPAC: 1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-dicarboxamide

Names & synonyms

64QR71LB83Terephthalanilide, 4',4''-bis(2-imidazolin-2-ylamino)-537-66-64',4''-Bis(imidazolin-2-yl-amino)terephthalanilideRefChem:1092159N1,N4-Bis(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-1,4-benzenedicarboxamideBRN 0968373UNII-64QR71LB83GNF-Pf-49404',4''-Bis(2-imidazolin-2-yl-amino)terephthalanilideCHEMBL525140SCHEMBL25605204

Show more names

DTXSID208621475-25-09-00309 (Beilstein Handbook Reference)N,N'-BIS(4-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO)PHENYL)-1,4-BENZENEDICARBOXAMIDEN,Na(2)-Bis[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-1,4-benzenedicarboxamideN~1~,N~4~-Bis{4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl}benzene-1,4-dicarboxamide1,4-BENZENEDICARBOXAMIDE, N,N'-BIS(4-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO)PHENYL)-1,4-BENZENEDICARBOXAMIDE, N1,N4-BIS(4-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO)PHENYL)-

Database identifiers

CAS: 537-66-6
PubChem CID: 8245
DTXSID: DTXSID20862147
ChEMBL: CHEMBL525140
UNII: 64QR71LB83
Nikkaji

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 131 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 754

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