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129050-99-3 | 1H-Imidazole,2,2'-[1,4-butanediylbis(oxy-4,1-phenylene)]bis[4,5-dihydro-1-methyl- (9CI)
CAS No: 129050-99-3 Catalog No: AG0080JM MDL No:
Product Description
Catalog Number:
AG0080JM
Chemical Name:
1H-Imidazole,2,2'-[1,4-butanediylbis(oxy-4,1-phenylene)]bis[4,5-dihydro-1-methyl- (9CI)
CAS Number:
129050-99-3
Molecular Formula:
C24H30N4O2
Molecular Weight:
406.5206
IUPAC Name:
1-methyl-2-[4-[4-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydroimidazole
InChI:
InChI=1S/C24H30N4O2/c1-27-15-13-25-23(27)19-5-9-21(10-6-19)29-17-3-4-18-30-22-11-7-20(8-12-22)24-26-14-16-28(24)2/h5-12H,3-4,13-18H2,1-2H3
InChI Key:
DQARQWWIFDLJKS-UHFFFAOYSA-N
SMILES:
CN1CCN=C1c1ccc(cc1)OCCCCOc1ccc(cc1)C1=NCCN1C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.237g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.53g/mol
Monoisotopic Mass:
406.237g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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 |
| Novel pentamidine analogs in the treatment of experimental Pneumocystis carinii pneumonia. | Antimicrobial agents and chemotherapy 19900601 |
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