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3-[4-[6-[2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenoxy]-N,N-dimethyl-1-propanamine
SpectraBase Compound ID FT53XomS6jI
InChI InChI=1S/C36H40N6O2/c1-41(2)19-5-21-43-29-13-7-25(8-14-29)35-37-31-17-11-27(23-33(31)39-35)28-12-18-32-34(24-28)40-36(38-32)26-9-15-30(16-10-26)44-22-6-20-42(3)4/h7-18,23-24H,5-6,19-22H2,1-4H3,(H,37,39)(H,38,40)
InChIKey MZGMYDKOHYOXKR-UHFFFAOYSA-N
Mol Weight 588.8 g/mol
Molecular Formula C36H40N6O2
Exact Mass 588.321275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FmWCs0YMGH
Name 3-[4-[6-[2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenoxy]-N,N-dimethyl-1-propanamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H40N6O2
InChI InChI=1S/C36H40N6O2/c1-41(2)19-5-21-43-29-13-7-25(8-14-29)35-37-31-17-11-27(23-33(31)39-35)28-12-18-32-34(24-28)40-36(38-32)26-9-15-30(16-10-26)44-22-6-20-42(3)4/h7-18,23-24H,5-6,19-22H2,1-4H3,(H,37,39)(H,38,40)
InChIKey MZGMYDKOHYOXKR-UHFFFAOYSA-N
Molecular Weight 588.756 g/mol
SMILES [nH]1c2cc(-c3ccc4nc([nH]c4c3)-c3ccc(cc3)OCCCN(C)C)ccc2nc1-c1ccc(cc1)OCCCN(C)C
SPLASH splash10-0a4i-9000020000-d597d8d944ae43b6ea3a
Source of Spectrum F2-44-142-5
Synonyms 3-[4-[6-[2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenoxy]-N,N-dimethyl-propan-1-amine 3-[4-[6-[2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenoxy]propyl-dimethyl-amine
Wiley ID 1639099