5,6-Dichloro-2-methylbenzimidazole - CAS 6478-79-1
Catalog: |
BB032551 |
Product Name: |
5,6-Dichloro-2-methylbenzimidazole |
CAS: |
6478-79-1 |
Synonyms: |
5,6-dichloro-2-methyl-1H-benzimidazole; 5,6-dichloro-2-methyl-1H-benzimidazole |
IUPAC Name: | 5,6-dichloro-2-methyl-1H-benzimidazole |
Description: | 5,6-Dichloro-2-methylbenzimidazole (CAS# 6478-79-1) is a benzimidazole with antiparasitic activity. It also shows aminopyrine demethylase-inhibiting activity. |
Molecular Weight: | 201.05 |
Molecular Formula: | C8H6Cl2N2 |
Canonical SMILES: | CC1=NC2=CC(=C(C=C2N1)Cl)Cl |
InChI: | InChI=1S/C8H6Cl2N2/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,1H3,(H,11,12) |
InChI Key: | WMOBNOCVMZFPEN-UHFFFAOYSA-N |
Boiling Point: | 409 °C at 760 mmHg |
Density: | 1.486 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
MDL: | MFCD00276973 |
LogP: | 3.17810 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113512038-A | Benzo [4,5] imidazo [1,2-a ] pyridine derivative and preparation method and application thereof | 20210720 |
CN-109265403-B | Synthesis method of benzimidazole and derivatives thereof | 20181102 |
JP-2017002157-A | Composition for insulating material and organic thin film transistor using the same | 20150609 |
US-10689383-B2 | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | 20140804 |
US-2017327503-A1 | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | 20140804 |
PMID | Publication Date | Title | Journal |
22225635 | 20120201 | Synthesis and biological evaluation of benzo[d]imidazole derivatives as potential anti-cancer agents | Bioorganic & medicinal chemistry letters |
17074492 | 20070115 | Molecular modeling of some 1H-benzimidazole derivatives with biological activity against Entamoeba histolytica: a comparative molecular field analysis study | Bioorganic & medicinal chemistry |
12127542 | 20020819 | Synthesis and antiparasitic activity of 1H-benzimidazole derivatives | Bioorganic & medicinal chemistry letters |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.9908036 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.9908036 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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