5,6-Dichloro-2-(hydroxymethyl)benzimidazole - CAS 6478-80-4
Catalog: |
BB032552 |
Product Name: |
5,6-Dichloro-2-(hydroxymethyl)benzimidazole |
CAS: |
6478-80-4 |
Synonyms: |
(5,6-dichloro-1H-benzimidazol-2-yl)methanol; (5,6-dichloro-1H-benzimidazol-2-yl)methanol |
IUPAC Name: | (5,6-dichloro-1H-benzimidazol-2-yl)methanol |
Description: | 5,6-Dichloro-2-(hydroxymethyl)benzimidazole (CAS# 6478-80-4 ) is a useful research chemical. |
Molecular Weight: | 217.05 |
Molecular Formula: | C8H6Cl2N2O |
Canonical SMILES: | C1=C2C(=CC(=C1Cl)Cl)N=C(N2)CO |
InChI: | InChI=1S/C8H6Cl2N2O/c9-4-1-6-7(2-5(4)10)12-8(3-13)11-6/h1-2,13H,3H2,(H,11,12) |
InChI Key: | GOUGSJWBRLTBDO-UHFFFAOYSA-N |
LogP: | 2.36200 |
Publication Number | Title | Priority Date |
AU-2018218965-A1 | Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same | 20170207 |
AU-2018218965-B2 | Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same | 20170207 |
CN-110191882-A | Novel heterocyclic compounds, preparation method and the pharmaceutical composition comprising it | 20170207 |
EP-3580208-A1 | Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same | 20170207 |
JP-2020506197-A | Novel heterocyclic compound, production method thereof and pharmaceutical composition containing the same | 20170207 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.9857182 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.9857182 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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