4',4''-Bis(imidazolin-2-yl-amino)terephthalanilide dihydrochloride

HCID 8244

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Basic information

CAS: 114-77-2
Standard SMILES: Cl.Cl.O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(NC3=NCCN3)cc2)cc1
InChIKey: LDKWVGSNUDHECR-UHFFFAOYSA-N
Molecular formula: C26H28Cl2N8O2
Average molar mass: 555.5 g/mol
Monoisotopic mass: 554.1712276

Names & identifiers

Preferred name: 4',4''-Bis(imidazolin-2-yl-amino)terephthalanilide dihydrochloride
IUPAC: 1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-dicarboxamide;dihydrochloride

Names & synonyms

HR 2105114-77-2PJS36I19784',4''-Bis(imidazolin-2-yl-amino)terephthalanilide dihydrochlorideNSC-53306UNII-PJS36I1978CHEMBL2097854DTXSID701019013Terephthalanilide, 4',4''-bis(2-imidazolin-2-ylamino)-, dihydrochloride1,4-Benzenedicarboxamide, N,N'-bis(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-, dihydrochloride1,4-BENZENEDICARBOXAMIDE, N1,N4-BIS(4-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO)PHENYL)-, HYDROCHLORIDE (1:2)N,N'-BIS(4-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO)PHENYL)-1,4-BENZENEDICARBOXAMIDE DIHYDROCHLORIDE

Show more names

N~1~,N~4~-Bis{4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl}benzene-1,4-dicarboxamide--hydrogen chloride (1/2)

Database identifiers

CAS: 114-77-2
PubChem CID: 8244
DTXSID: DTXSID701019013
ChEMBL

Properties

Computed structural properties

Topological polar surface area: 131 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 38
Formal charge: 0
Complexity: 754

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