| CAS Number | 292062-25-0 |
| Catalog Number | AG00BIFQ(AGN-PC-0WA4AU) |
| Chemical Name | 1-Benzyl-2-methylbenzodiazole-5-carboxylic acid |
| IUPAC Name | 1-benzyl-2-methylbenzimidazole-5-carboxylic acid |
| InChI | InChI=1S/C16H14N2O2/c1-11-17-14-9-13(16(19)20)7-8-15(14)18(11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,20) |
| InChI Key | VYSLIEFTLBFUIJ-UHFFFAOYSA-N |
| MDL Number | MFCD00823518 |
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.2946 |
| SMILES | OC(=O)c1ccc2c(c1)nc(n2Cc1ccccc1)C |
| Synonyms | 1-Benzyl-2-methylbenzodiazole-5-carboxylic acid,
292062-25-0,
1-Benzyl-2-methyl-1H-benzoimidazole-5-carboxylic acid,
AC1LMN75,
Oprea1_062052,
CTK7I8529,
ZINC873975,
STK367984,
AKOS002662499,
V4956,
1-benzyl-2-methylbenzimidazole-5-carboxylic acid,
SR-01000325746,
SR-01000325746-1,
1-benzyl-2-methyl-1H-benzimidazole-5-carboxylic acid,
1-benzyl-2-methyl-1H-benzo[d]imidazole-5-carboxylic acid,
C16H14N2O2,
CID1133090,
1-benzyl-2-methyl-benzoimidazole-5-carboxylic Acid,
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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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.3g/mol |
| Monoisotopic Mass | 266.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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