1-Isopropyl-1H-benzoimidazole-5-carboxylic Acid - CAS 284673-16-1
Catalog: |
BB060540 |
Product Name: |
1-Isopropyl-1H-benzoimidazole-5-carboxylic Acid |
CAS: |
284673-16-1 |
Synonyms: |
1-Isopropyl-1H-benzoimidazole-5-carboxylic acid; 1H-Benzimidazole-5-carboxylic acid, 1-(1-methylethyl)-; 1-propan-2-ylbenzimidazole-5-carboxylic acid; 1-(Propan-2-Yl)-1h-Benzimidazole-5-Carboxylic Acid; 1-(propan-2-yl)-1H-1,3-benzodiazole-5-carboxylic acid |
IUPAC Name: | 1-propan-2-ylbenzimidazole-5-carboxylic acid |
Description: | 1-Isopropyl-1H-benzoimidazole-5-carboxylic Acid is a reagent used in the preparation of agonists to human orphan g-protein coupled receptor GPR109b. |
Molecular Weight: | 204.22 |
Molecular Formula: | C11H12N2O2 |
Canonical SMILES: | CC(C)N1C=NC2=C1C=CC(=C2)C(=O)O |
InChI: | InChI=1S/C11H12N2O2/c1-7(2)13-6-12-9-5-8(11(14)15)3-4-10(9)13/h3-7H,1-2H3,(H,14,15) |
InChI Key: | SQIQIYYPWAELAC-UHFFFAOYSA-N |
References: | Semple, G. et al. J Med. Chem., 49, 1227 (2006). |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.08987763 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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