| CAS Number | 299927-10-9 |
| Catalog Number | AG00I5L4(AGN-PC-0WQWUU) |
| Chemical Name | Methyl 2-methyl-1-phenyl-1,3-benzodiazole-5-carboxylate |
| IUPAC Name | methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C16H14N2O2/c1-11-17-14-10-12(16(19)20-2)8-9-15(14)18(11)13-6-4-3-5-7-13/h3-10H,1-2H3 |
| InChI Key | KUFKQELIHBOUEA-UHFFFAOYSA-N |
| MDL Number | MFCD00420386 |
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.2946 |
| SMILES | COC(=O)c1ccc2c(c1)nc(n2c1ccccc1)C |
| Synonyms | 299927-10-9,
METHYL 2-METHYL-1-PHENYL-1,3-BENZODIAZOLE-5-CARBOXYLATE,
AC1LFZPV,
BAS 00004197,
Oprea1_077755,
Oprea1_606807,
SCHEMBL541343,
KUFKQELIHBOUEA-UHFFFAOYSA-N,
ZINC236074,
STL363151,
AKOS022124758,
MCULE-9499052821,
methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate,
methyl 2-methyl-1-phenyl-1H-benzimidazole-5-carboxylate,
methyl 2-methyl-1-phenyl-1H-1,3-benzimidazole-5-carboxylate,
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic Acid Methyl Ester,
2-Methyl-1-phenyl-1H-benzoimidazole-5-carboxylic acid methyl ester,
C16H14N2O2,
CID762824,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.3g/mol |
| Monoisotopic Mass | 266.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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