| CAS Number | 299927-11-0 |
| Catalog Number | AG00BIF3(AGN-PC-0WADNZ) |
| Chemical Name | Methyl 1-benzyl-2-methyl-1,3-benzodiazole-5-carboxylate |
| IUPAC Name | methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C17H16N2O2/c1-12-18-15-10-14(17(20)21-2)8-9-16(15)19(12)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3 |
| InChI Key | MZPJCRTZEVZGHI-UHFFFAOYSA-N |
| MDL Number | MFCD00544325 |
| Molecular Formula | C17H16N2O2 |
| Molecular Weight | 280.3211 |
| SMILES | O=C(C1=CC=C(N(CC2=CC=CC=C2)C(C)=N3)C3=C1)OC |
| Synonyms | Methyl 1-benzyl-2-methyl-1,3-benzodiazole-5-carboxylate,
299927-11-0,
BAS 00004198,
AC1LLO7P,
Oprea1_024276,
Oprea1_159696,
ZINC777849,
AKOS023137111,
V5004,
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate,
1-Benzyl-2-methyl-1H-benzoimidazole-5-carboxylic acid methyl ester,
C17H16N2O2,
CID1070610,
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| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.327g/mol |
| Monoisotopic Mass | 280.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number