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N,3'-Bibenzamide, 4-(2-imidazolin-2-yl)-N'-(p-2-imidazolin-2-ylphenyl)

HCID 461773
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Basic information

CAS
13608-72-5
Standard SMILES
Cl.Cl.O=C(Nc1cccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c1)c1ccc(C2=NCCN2)cc1
InChIKey
UDHHJEBHUWPUPP-UHFFFAOYSA-N
Molecular formula
C26H26Cl2N6O2
Average molar mass
525.4 g/mol
Monoisotopic mass
524.1494295

Names & identifiers

Preferred name
N,3'-Bibenzamide, 4-(2-imidazolin-2-yl)-N'-(p-2-imidazolin-2-ylphenyl)
IUPAC
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide;dihydrochloride

Names & synonyms

13608-72-5NSC 63689N,3'-Bibenzamide, 4-(2-imidazolin-2-yl)-N'-(p-2-imidazolin-2-ylphenyl)NSC63689NSC-636893-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamideN,3'-Bibenzamide der.ZB9U437TTDDTXSID70159650N,3'-Bibenzamide, 4-(2-imidazolin-2-yl)-N'-(p-2-imidazolin-2-ylphenyl)-, dihydrochloride3-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide dihydrochloride3-[4-(4,5-Dihydro-1H-imidazol-2-yl)benzamido]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide--hydrogen chloride (1/2)
Show more names
Benzamide, 3-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-, hydrochloride (1:2)

Database identifiers

CAS
13608-72-5
PubChem CID
461773
DTXSID

Properties

Computed structural properties

Topological polar surface area
107 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
36
Formal charge
0
Complexity
795

Related reactions

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Compound notes

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DTXSID70159650
UNII
ZB9U437TTD