1-Benzyl-2-methylbenzodiazole-5-carboxylic acid - CAS 292062-25-0
Catalog: |
BB073493 |
Product Name: |
1-Benzyl-2-methylbenzodiazole-5-carboxylic acid |
CAS: |
292062-25-0 |
Synonyms: |
1-Benzyl-2-methylbenzodiazole-5-carboxylic acid; 1-benzyl-2-methylbenzimidazole-5-carboxylic acid; 1-Benzyl-2-methyl-1H-benzoimidazole-5-carboxylic acid; 2-Methyl-1-(phenylmethyl)-1H-benzimidazole-5-carboxylic acid |
IUPAC Name: | 1-benzyl-2-methylbenzimidazole-5-carboxylic acid |
Description: | 1-Benzyl-2-methylbenzodiazole-5-carboxylic acid |
Molecular Weight: | 266.29 |
Molecular Formula: | C16H14N2O2 |
Canonical SMILES: | CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(=O)O |
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 |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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