![5,6-Dichloro-1-methyl-2-[2'-(pyridin-4''-yl)ethyl]-1H-benzoimidazole](/api/spectrum/FqCvPF8EWAL/structure.png?h=300&w=458 "5,6-Dichloro-1-methyl-2-[2'-(pyridin-4''-yl)ethyl]-1H-benzoimidazole")
| SpectraBase Compound ID | BPKqpWNm107 |
|---|---|
| InChI | InChI=1S/C15H13Cl2N3/c1-20-14-9-12(17)11(16)8-13(14)19-15(20)3-2-10-4-6-18-7-5-10/h4-9H,2-3H2,1H3 |
| InChIKey | QUWHPQQNCAAKRC-UHFFFAOYSA-N |
| Mol Weight | 306.2 g/mol |
| Molecular Formula | C15H13Cl2N3 |
| Exact Mass | 305.048653 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqCvPF8EWAL |
|---|---|
| Name | 5,6-Dichloro-1-methyl-2-[2'-(pyridin-4''-yl)ethyl]-1H-benzoimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.048652831 u |
| Formula | C15H13Cl2N3 |
| InChI | InChI=1S/C15H13Cl2N3/c1-20-14-9-12(17)11(16)8-13(14)19-15(20)3-2-10-4-6-18-7-5-10/h4-9H,2-3H2,1H3 |
| InChIKey | QUWHPQQNCAAKRC-UHFFFAOYSA-N |
| Molecular Weight | 306.196 g/mol |
| SMILES | C1(=NC=2C(N1C)=CC(=C(C2)Cl)Cl)CCC1=CC=NC=C1 |