1-Benzyl-1,3-benzodiazole-5-carboxylic acid - CAS 284673-18-3
Catalog: |
BB055103 |
Product Name: |
1-Benzyl-1,3-benzodiazole-5-carboxylic acid |
CAS: |
284673-18-3 |
Synonyms: |
1-benzyl-1,3-benzodiazole-5-carboxylic acid; 1-benzylbenzimidazole-5-carboxylic acid; 1-benzyl-1H-benzimidazole-5-carboxylic acid; 1-benzyl-1H-1,3-benzodiazole-5-carboxylic acid |
IUPAC Name: | 1-benzylbenzimidazole-5-carboxylic acid |
Description: | 1-Benzyl-1,3-benzodiazole-5-carboxylic acid |
Molecular Weight: | 252.27 |
Molecular Formula: | C15H12N2O2 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=NC3=C2C=CC(=C3)C(=O)O |
InChI: | InChI=1S/C15H12N2O2/c18-15(19)12-6-7-14-13(8-12)16-10-17(14)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,19) |
InChI Key: | RBFKLENWRJKDSC-UHFFFAOYSA-N |
Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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