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3-Pyridinol, 2-(1H-benzimidazol-2-yl)- structure

3-Pyridinol, 2-(1H-benzimidazol-2-yl)-

 
1. Names and Identifiers
1.1 Name
3-Pyridinol, 2-(1H-benzimidazol-2-yl)-
1.2 Synonyms
2-(1H-benzimidazol-2-yl)-3-Pyridinol; 2-(1H-Benzimidazol-2-yl)pyridin-3-ol; 2-(1H-benzo[d]imidazol-2-yl)pyridin-3-ol; 2-(1H-benzoimidazol-2-yl)-pyridin-3-ol; 2-(3'-hydroxy-2'-pyridyl)benzimidazole; 3-pyridinol,2-(1h-benzo[d]imidazol-2-yl)-; BDBM50180748; CHEMBL372398; CTK1G7527; DTXSID90469127; ZINC13679468;
1.3 CAS No.
5004-83-1
1.4 CID
135453186
1.5 Molecular Formula
C12H9N3O
1.6 Inchi
InChI=1S/C12H9N3O/c16-10-6-3-7-13-11(10)12-14-8-4-1-2-5-9(8)15-12/h1-7,16H,(H,14,15)
1.7 InChkey
SRYNFTOUOFLELK-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC=N3)O
1.9 Isomers Smiles
C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC=N3)O
2. Synthesis Route
5004-83-1Total: 1 Synthesis Route
 
874-24-8
874-24-8 116 Suppliers
 
95-54-5
95-54-5 177 Suppliers
 
3. Precursor and Product
precursor:
4. Computed Properties
  • Molecular Weight:211.22g/mol
  • Molecular Formula:C12H9N3O
  • Compound Is Canonicalized:True
  • Exact Mass:1.8
  • XLogP3-AA:211.074561919
  • Monoisotopic Mass:211.074561919
  • Complexity:248
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:61.8
  • Heavy Atom Count::16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHgAQCAAACAzBlwQ91rbJkgCgATZnZASCgC2xcqAJ2SA/fJiKbuLSmZOUcAhu0BPY2CcwAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==
5. Realated Product Infomation
 
 
 
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