![2-[(4'-Methylpiperazin-1'-yl)methyl]-5(6)-chloro-1H-benzimidazole](/api/spectrum/HM997OP3368/structure.png?h=300&w=458 "2-[(4'-Methylpiperazin-1'-yl)methyl]-5(6)-chloro-1H-benzimidazole")
| SpectraBase Compound ID | FiLqpdocwI4 |
|---|---|
| InChI | InChI=1S/C13H17ClN4/c1-17-4-6-18(7-5-17)9-13-15-11-3-2-10(14)8-12(11)16-13/h2-3,8H,4-7,9H2,1H3,(H,15,16) |
| InChIKey | ULHBZFVBLULRNO-UHFFFAOYSA-N |
| Mol Weight | 264.76 g/mol |
| Molecular Formula | C13H17ClN4 |
| Exact Mass | 264.114174 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HM997OP3368 |
|---|---|
| Name | 2-[(4'-Methylpiperazin-1'-yl)methyl]-5(6)-chloro-1H-benzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.114174263 u |
| Formula | C13H17ClN4 |
| InChI | InChI=1S/C13H17ClN4/c1-17-4-6-18(7-5-17)9-13-15-11-3-2-10(14)8-12(11)16-13/h2-3,8H,4-7,9H2,1H3,(H,15,16) |
| InChIKey | ULHBZFVBLULRNO-UHFFFAOYSA-N |
| SMILES | C1(=NC2=C(N1)C=CC(=C2)Cl)CN1CCN(CC1)C |