| CAS Number | 1414661-80-5 |
| Catalog Number | AG01F5F9(AGN-PC-3H493E) |
| Chemical Name | Ethyl 2-[4-(2-benzimidazolyl)phenyl]-4 methylthiazole-5-carboxylate |
| IUPAC Name | ethyl 2-[4-(1H-benzimidazol-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C20H17N3O2S/c1-3-25-20(24)17-12(2)21-19(26-17)14-10-8-13(9-11-14)18-22-15-6-4-5-7-16(15)23-18/h4-11H,3H2,1-2H3,(H,22,23) |
| InChI Key | NEYJBSLCTLMEBJ-UHFFFAOYSA-N |
| MDL Number | MFCD22988959 |
| Molecular Formula | C20H17N3O2S |
| Molecular Weight | 363.4329 |
| SMILES | CCOC(=O)c1sc(nc1C)c1ccc(cc1)c1nc2c([nH]1)cccc2 |
| Synonyms | 1414661-80-5,
ethyl 2-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-4-methylthiazole-5-carboxylate,
Ethyl 2-[4-(2-benzimidazolyl)phenyl]-4 methylthiazole-5-carboxylate,
MFCD22988959,
ZINC85999938,
QC-6280,
Ethyl 2-[4-(2-benzimidazolyl)phenyl]-4-methylthiazole-5-carboxylate,
Ethyl 2-[4-(2-benzimidazolyl)-phenyl]-4-methylthiazole-5-carboxylate, AldrichCPR,
|
| Complexity | 497 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.435g/mol |
| Monoisotopic Mass | 363.104g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 96.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number