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100562-53-6 | 1H-Benzimidazole-6-carboximidamide, 2,2'-(1,4-butanediyl)bis-
CAS No: 100562-53-6 Catalog No: AG0002CN MDL No:
Product Description
Catalog Number:
AG0002CN
Chemical Name:
1H-Benzimidazole-6-carboximidamide, 2,2'-(1,4-butanediyl)bis-
CAS Number:
100562-53-6
Molecular Formula:
C20H22N8
Molecular Weight:
374.4423
IUPAC Name:
2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)butyl]-3H-benzimidazole-5-carboximidamide
InChI:
InChI=1S/C20H22N8/c21-19(22)11-5-7-13-15(9-11)27-17(25-13)3-1-2-4-18-26-14-8-6-12(20(23)24)10-16(14)28-18/h5-10H,1-4H2,(H3,21,22)(H3,23,24)(H,25,27)(H,26,28)
InChI Key:
SNNSTIDDSQUDDO-UHFFFAOYSA-N
SMILES:
NC(=N)c1ccc2c(c1)[nH]c(n2)CCCCc1nc2c([nH]1)cc(cc2)C(=N)N
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.197g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
374.452g/mol
Monoisotopic Mass:
374.197g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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 |
| Anti-Pneumocystis activities of aromatic diamidoxime prodrugs. | Antimicrobial agents and chemotherapy 19980301 |
| 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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