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1,3-Benzenedicarboxamide, 5-chloro-N, N-bis[4- (4,5-dihydro-1H-imidazol-2-yl)phenyl]-, dihydrochlori 5374-61-8 98%
Identification and Related Records
【Name】
5-chloro-N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
【Iupac name】
5-chloro-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,
3-dicarboxamide hydrochloride
【CAS Registry number】
5374-61-8
【Synonyms】
NSC38279
NSC-38279
Isophthalanide,4'
'
-di-2-imidazolin-2-yl-, dihydrochloride
1, 5-chloro-N,N'
-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-, dihydrochloride
5374-61-8
【Molecular Formula】
C26H23ClN6O2 (Products with the same molecular formula)
【Molecular Weight】
486.9528
【Inchi】
InChI=1/C26H23ClN6O2/c27-20-14-18(25(34)32-21-5-1-16(2-6-21)23-28-9-10-29-23)13-19(15-20)26(35)33-22-7-3-17(4-8-22)24-30-11-12-31-24/h1-8,13-15H,9-12H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
【Canonical SMILES】
C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)Cl)C(=O)NC4=CC=C(C=C4)C5=NCCN5.Cl
【MOL File】
5374-61-8.mol
Chemical and Physical Properties
【Density】
1.43g/cm3
【Refractive Index】
1.719
【Computed Properties】
Molecular Weight:523.41376 [g/mol]
Molecular Formula:C26H24Cl2N6O2
H-Bond Donor:5
H-Bond Acceptor:4
Rotatable Bond Count:6
Tautomer Count:6
Exact Mass:522.133779
MonoIsotopic Mass:522.133779
Topological Polar Surface Area:107
Heavy Atom Count:36
Formal Charge:0
Complexity:766
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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