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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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtxHszS6q2L
Name 3-[4-[6-[2-[4-[3-(Dimethylamino)propoxy]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenoxy]-N,N-dimethyl-1-propanamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 588.321274550 u
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 C1(=NC=2C=CC(C=3C=C4NC(C5=CC=C(C=C5)OCCCN(C)C)=NC4=CC3)=CC2N1)C1=CC=C(C=C1)OCCCN(C)C