2-(Hydroxymethyl)-5-(trifluoromethyl)benzimidazole - CAS 6758-34-5
Catalog: |
BB033336 |
Product Name: |
2-(Hydroxymethyl)-5-(trifluoromethyl)benzimidazole |
CAS: |
6758-34-5 |
Synonyms: |
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanol; [6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanol |
IUPAC Name: | [6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanol |
Description: | 2-(Hydroxymethyl)-5-(trifluoromethyl)benzimidazole (CAS# 6758-34-5 ) is a useful research chemical. |
Molecular Weight: | 216.16 |
Molecular Formula: | C9H7F3N2O |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CO |
InChI: | InChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(4-15)13-6/h1-3,15H,4H2,(H,13,14) |
InChI Key: | UHYXPZNNZRASOQ-UHFFFAOYSA-N |
Boiling Point: | 394.1 °C at 760 mmHg |
Density: | 1.517 g/cm3 |
LogP: | 2.07400 |
Publication Number | Title | Priority Date |
CN-106458923-B | Heterocyclic compound | 20140623 |
KR-20150146462-A | Novel heterocyclic compounds | 20140623 |
WO-2015199418-A2 | Novel heterocyclic compound | 20140623 |
US-2009018132-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | 20070711 |
US-8026257-B2 | Substituted heterocyclic ethers and their use in CNS disorders | 20070711 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.05104734 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.05104734 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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