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75846-15-0 | 1H-Benzimidazole-6-carboximidamide,2,2'-(1,2-ethanediyl)bis-
CAS No: 75846-15-0 Catalog No: AG0059VL MDL No:
Product Description
Catalog Number:
AG0059VL
Chemical Name:
1H-Benzimidazole-6-carboximidamide,2,2'-(1,2-ethanediyl)bis-
CAS Number:
75846-15-0
Molecular Formula:
C18H18N8
Molecular Weight:
346.3891
IUPAC Name:
2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-carboximidamide
InChI:
InChI=1S/C18H18N8/c19-17(20)9-1-3-11-13(7-9)25-15(23-11)5-6-16-24-12-4-2-10(18(21)22)8-14(12)26-16/h1-4,7-8H,5-6H2,(H3,19,20)(H3,21,22)(H,23,25)(H,24,26)
InChI Key:
KIYLEUCIWFUYOC-UHFFFAOYSA-N
SMILES:
NC(=N)c1ccc2c(c1)[nH]c(n2)CCc1nc2c([nH]1)cc(cc2)C(=N)N
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.165g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
346.398g/mol
Monoisotopic Mass:
346.165g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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 |
| New drug developments for opportunistic infections in immunosuppressed patients: Pneumocystis carinii. | Journal of medicinal chemistry 19951124 |
| 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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