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139223-25-9 | 1H-Benzimidazole, 2,2'-methylenebis[6-(4,5-dihydro-1H-imidazol-2-yl)-
CAS No: 139223-25-9 Catalog No: AG001AJ0 MDL No:
Product Description
Catalog Number:
AG001AJ0
Chemical Name:
1H-Benzimidazole, 2,2'-methylenebis[6-(4,5-dihydro-1H-imidazol-2-yl)-
CAS Number:
139223-25-9
Molecular Formula:
C21H20N8
Molecular Weight:
384.4371
IUPAC Name:
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole
InChI:
InChI=1S/C21H20N8/c1-3-14-16(9-12(1)20-22-5-6-23-20)28-18(26-14)11-19-27-15-4-2-13(10-17(15)29-19)21-24-7-8-25-21/h1-4,9-10H,5-8,11H2,(H,22,23)(H,24,25)(H,26,28)(H,27,29)
InChI Key:
NAJDTUYYOLRLRP-UHFFFAOYSA-N
SMILES:
C1CN=C(N1)c1ccc2c(c1)[nH]c(n2)Cc1nc2c([nH]1)cc(cc2)C1=NCCN1
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.181g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
384.447g/mol
Monoisotopic Mass:
384.181g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Structure-in vitro activity relationships of pentamidine analogues and dication-substituted bis-benzimidazoles as new antifungal agents. | Antimicrobial agents and chemotherapy 19981001 |
| Selective inhibition of topoisomerases from Pneumocystis carinii compared with that of topoisomerases from mammalian cells. | Antimicrobial agents and chemotherapy 19940901 |
| Activity of cationically substituted bis-benzimidazoles against experimental Pneumocystis carinii pneumonia. | Antimicrobial agents and chemotherapy 19930801 |
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