5-Bromo-2-(cyanomethyl)benzimidazole - CAS 1312435-81-6
Catalog: |
BB007273 |
Product Name: |
5-Bromo-2-(cyanomethyl)benzimidazole |
CAS: |
1312435-81-6 |
Synonyms: |
2-(6-bromo-1H-benzimidazol-2-yl)acetonitrile; 2-(6-bromo-1H-benzimidazol-2-yl)acetonitrile |
IUPAC Name: | 2-(6-bromo-1H-benzimidazol-2-yl)acetonitrile |
Description: | 5-Bromo-2-(cyanomethyl)benzimidazole (CAS# 1312435-81-6 ) is a useful research chemical. |
Molecular Weight: | 236.07 |
Molecular Formula: | C9H6BrN3 |
Canonical SMILES: | C1=CC2=C(C=C1Br)NC(=N2)CC#N |
InChI: | InChI=1S/C9H6BrN3/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11/h1-2,5H,3H2,(H,12,13) |
InChI Key: | CRNQTGBLKPDUFB-UHFFFAOYSA-N |
LogP: | 2.39148 |
Publication Number | Title | Priority Date |
EP-2514749-A1 | Oxadiazole derivative having endothelial lipase inhibitory activity | 20091215 |
EP-2514749-B1 | Oxadiazole derivative having endothelial lipase inhibitory activity | 20091215 |
US-2012253040-A1 | Oxadiazole derivative having endothelial lipase inhibitory activity | 20091215 |
US-2014323722-A1 | Oxadiazole derivative having endothelial lipase inhibitory activity | 20091215 |
US-8754113-B2 | Oxadiazole derivative having endothelial lipase inhibitory activity | 20091215 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.97451 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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