| CAS Number | 1965304-77-1 |
| Catalog Number | AG01F4NH(AGN-PC-3H4926) |
| Chemical Name | Ethyl 2-[(2-(2-thienyl)benzimidazol)-6-yl]-4-methylthiazole-5-carboxylate |
| IUPAC Name | ethyl 4-methyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C18H15N3O2S2/c1-3-23-18(22)15-10(2)19-17(25-15)11-6-7-12-13(9-11)21-16(20-12)14-5-4-8-24-14/h4-9H,3H2,1-2H3,(H,20,21) |
| InChI Key | RVZXOGSAZWZEIG-UHFFFAOYSA-N |
| MDL Number | MFCD28166182 |
| Molecular Formula | C18H15N3O2S2 |
| Molecular Weight | 369.4606 |
| SMILES | S1C(C(OCC)=O)=C(C)N=C1C1C=C2C(=CC=1)N=C(C1=CC=CS1)N2 |
| Synonyms | Ethyl 2-[(2-(2-thienyl)benzimidazol)-6-yl]-4-methylthiazole-5-carboxylate,
1965304-77-1,
ZINC219036446,
|
| Complexity | 495 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.457g/mol |
| Monoisotopic Mass | 369.061g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number