EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:105345 - 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester
| Formula | C22H25N3O3 |
| Net Charge | 0 |
| Average Mass | 379.460 |
| Monoisotopic Mass | 379.18959 |
| SMILES | Cc1nc2cc(C(=O)OCC(=O)NC(C)C(C)C)ccc2n1-c1ccccc1 |
| InChI | InChI=1S/C22H25N3O3/c1-14(2)15(3)23-21(26)13-28-22(27)17-10-11-20-19(12-17)24-16(4)25(20)18-8-6-5-7-9-18/h5-12,14-15H,13H2,1-4H3,(H,23,26) |
| InChIKey | ZTNNFWYALCMNJH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester (CHEBI:105345) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16708 | LINCS |