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4-{1-[4-(3-methylphenoxy)butyl]-1H-benzimidazol-2-yl}-1-(3-methylphenyl)-2-pyrrolidinone

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4-{1-[4-(3-methylphenoxy)butyl]-1H-benzimidazol-2-yl}-1-(3-methylphenyl)-2-pyrrolidinone
SpectraBase Compound ID GZ4mA6jvsNK
InChI InChI=1S/C29H31N3O2/c1-21-9-7-11-24(17-21)32-20-23(19-28(32)33)29-30-26-13-3-4-14-27(26)31(29)15-5-6-16-34-25-12-8-10-22(2)18-25/h3-4,7-14,17-18,23H,5-6,15-16,19-20H2,1-2H3
InChIKey KWZGYJHQJWCCHB-UHFFFAOYSA-N
Mol Weight 453.59 g/mol
Molecular Formula C29H31N3O2
Exact Mass 453.241627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IANiEXH41dt
Name 4-{1-[4-(3-Methylphenoxy)butyl]-1H-benzimidazol-2-yl}-1-(3-methylphenyl)-2-pyrrolidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.241627248 u
Formula C29H31N3O2
InChI InChI=1S/C29H31N3O2/c1-21-9-7-11-24(17-21)32-20-23(19-28(32)33)29-30-26-13-3-4-14-27(26)31(29)15-5-6-16-34-25-12-8-10-22(2)18-25/h3-4,7-14,17-18,23H,5-6,15-16,19-20H2,1-2H3
InChIKey KWZGYJHQJWCCHB-UHFFFAOYSA-N
Molecular Weight 453.586 g/mol
SMILES C1(=NC2=CC=CC=C2N1CCCCOC=1C=C(C)C=CC1)C1CN(C=2C=C(C)C=CC2)C(C1)=O