2-(Hydroxymethyl)-5-(trifluoromethoxy)benzimidazole - CAS 919054-04-9
Catalog: |
BB040379 |
Product Name: |
2-(Hydroxymethyl)-5-(trifluoromethoxy)benzimidazole |
CAS: |
919054-04-9 |
Synonyms: |
[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methanol; [6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methanol |
IUPAC Name: | [6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methanol |
Description: | 2-(Hydroxymethyl)-5-(trifluoromethoxy)benzimidazole (CAS# 919054-04-9 ) is a useful research chemical. |
Molecular Weight: | 232.16 |
Molecular Formula: | C9H7F3N2O2 |
Canonical SMILES: | C1=CC2=C(C=C1OC(F)(F)F)NC(=N2)CO |
InChI: | InChI=1S/C9H7F3N2O2/c10-9(11,12)16-5-1-2-6-7(3-5)14-8(4-15)13-6/h1-3,15H,4H2,(H,13,14) |
InChI Key: | IYZRNYXTOFNHAK-UHFFFAOYSA-N |
LogP: | 1.95380 |
Publication Number | Title | Priority Date |
CN-106458923-B | Heterocyclic compound | 20140623 |
US-8242284-B1 | Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making | 20090921 |
US-8293780-B1 | Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making | 20090921 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.04596196 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.04596196 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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