Molecule card · MolClass #2393
N-[4-(benzyloxy)phenyl]-3-oxo-1,2,3,5-tetrahydropyrido[1,2-a]benzimidazole-4-carboxamide
N-[4-(benzyloxy)phenyl]-3-oxo-1,2,3,5-tetrahydropyrido[1,2-a]benzimidazole-4-…: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- N-[4-(benzyloxy)phenyl]-3-oxo-1,2,3,5-tetrahydropyrido[1,2-a]benzimidazole-4-carboxamideCompound accumulation in C. elegans · compound_name
- MolClass ID
- 2393
- InChIKey
- JBFRADDFGKSSHY-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CCN4c5ccccc5(NC4(=C1C(=O)Nc2ccc(cc2)OCc3ccccc3))
- Standard InChI
- InChI=1S/C25H21N3O3/c29-22-14-15-28-21-9-5-4-8-20(21)27-24(28)23(22)25(30)26-18-10-12-19(13-11-18)31-16-17-6-2-1-3-7-17/h1-13,27H,14-16H2,(H,26,30)
- Stored Murcko scaffold
- O(c1ccc(cc1)N[CH]C=2[CH]CCN3c4ccccc4NC23)Cc5ccccc5
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 411.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.062
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Compound accumulation in C. elegans
Dataset #4 · 15.9565835535546