![N-{3-(1H-benzimidazol-2-yl)-5-[(cyclohexylcarbonyl)amino]phenyl}cyclohexanecarboxamide](/api/spectrum/IgyImsPR6uT/structure.png?h=300&w=458 "N-{3-(1H-benzimidazol-2-yl)-5-[(cyclohexylcarbonyl)amino]phenyl}cyclohexanecarboxamide")
| SpectraBase Compound ID | CsAc2r1O1F5 |
|---|---|
| InChI | InChI=1S/C27H32N4O2/c32-26(18-9-3-1-4-10-18)28-21-15-20(25-30-23-13-7-8-14-24(23)31-25)16-22(17-21)29-27(33)19-11-5-2-6-12-19/h7-8,13-19H,1-6,9-12H2,(H,28,32)(H,29,33)(H,30,31) |
| InChIKey | YLVKVKKQPRHGGP-UHFFFAOYSA-N |
| Mol Weight | 444.6 g/mol |
| Molecular Formula | C27H32N4O2 |
| Exact Mass | 444.252526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IgyImsPR6uT |
|---|---|
| Name | N-{3-(1H-Benzimidazol-2-yl)-5-[(cyclohexylcarbonyl)amino]phenyl}cyclohexanecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.252526284 u |
| Formula | C27H32N4O2 |
| InChI | InChI=1S/C27H32N4O2/c32-26(18-9-3-1-4-10-18)28-21-15-20(25-30-23-13-7-8-14-24(23)31-25)16-22(17-21)29-27(33)19-11-5-2-6-12-19/h7-8,13-19H,1-6,9-12H2,(H,28,32)(H,29,33)(H,30,31) |
| InChIKey | YLVKVKKQPRHGGP-UHFFFAOYSA-N |
| Molecular Weight | 444.579 g/mol |
| SMILES | N1C=2C=CC=CC2N=C1C=1C=C(NC(=O)C2CCCCC2)C=C(C1)NC(=O)C1CCCCC1 |