| CAS Number | 1245563-05-6 |
| Catalog Number | AG00HHOO |
| Chemical Name | Methyl 1-ethyl-1H-benzo[d]imidazole-5-carboxylate |
| IUPAC Name | methyl 1-ethylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C11H12N2O2/c1-3-13-7-12-9-6-8(11(14)15-2)4-5-10(9)13/h4-7H,3H2,1-2H3 |
| InChI Key | GFXIRPRUJJRIKQ-UHFFFAOYSA-N |
| MDL Number | MFCD17015786 |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.2252 |
| SMILES | COC(=O)c1ccc2c(c1)ncn2CC |
| Synonyms | Methyl 1-ethyl-1H-benzo[d]imidazole-5-carboxylate,
1245563-05-6,
SCHEMBL11679816,
MFCD17015786,
ZINC65337201,
AKOS027431032,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.229g/mol |
| Monoisotopic Mass | 204.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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