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129050-97-1 | 1H-Imidazole,2,2'-[1,4-butanediylbis(oxy-4,1-phenylene)]bis[4,5-dihydro-
CAS No: 129050-97-1 Catalog No: AG007NW6 MDL No:
Product Description
Catalog Number:
AG007NW6
Chemical Name:
1H-Imidazole,2,2'-[1,4-butanediylbis(oxy-4,1-phenylene)]bis[4,5-dihydro-
CAS Number:
129050-97-1
Molecular Formula:
C22H26N4O2
Molecular Weight:
378.4674
IUPAC Name:
2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C22H26N4O2/c1(15-27-19-7-3-17(4-8-19)21-23-11-12-24-21)2-16-28-20-9-5-18(6-10-20)22-25-13-14-26-22/h3-10H,1-2,11-16H2,(H,23,24)(H,25,26)
InChI Key:
ZOUKRKJTIHLLOP-UHFFFAOYSA-N
SMILES:
C(COc1ccc(cc1)C1=NCCN1)CCOc1ccc(cc1)C1=NCCN1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.206g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.476g/mol
Monoisotopic Mass:
378.206g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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 |
| Structure-activity relationships of analogs of pentamidine against Plasmodium falciparum and Leishmania mexicana amazonensis. | Antimicrobial agents and chemotherapy 19900701 |
| Novel pentamidine analogs in the treatment of experimental Pneumocystis carinii pneumonia. | Antimicrobial agents and chemotherapy 19900601 |
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