5-Chloro-4-methylbenzimidazole - CAS 1360938-85-7
Catalog: |
BB008291 |
Product Name: |
5-Chloro-4-methylbenzimidazole |
CAS: |
1360938-85-7 |
Synonyms: |
5-chloro-4-methyl-1H-benzimidazole; 5-chloro-4-methyl-1H-benzimidazole |
IUPAC Name: | 5-chloro-4-methyl-1H-benzimidazole |
Description: | 5-Chloro-4-methylbenzimidazole (CAS# 1360938-85-7) is a useful research chemical. |
Molecular Weight: | 166.61 |
Molecular Formula: | C8H7ClN2 |
Canonical SMILES: | CC1=C(C=CC2=C1N=CN2)Cl |
InChI: | InChI=1S/C8H7ClN2/c1-5-6(9)2-3-7-8(5)11-4-10-7/h2-4H,1H3,(H,10,11) |
InChI Key: | RFPIYIJPDBSYMR-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2019075367-A1 | PKM2 ACTIVATORS IN COMBINATION WITH OXYGEN REACTIVE SPECIES FOR THE TREATMENT OF CANCER | 20171013 |
US-2020237766-A1 | Pkm2 activators in combination with reactive oxygen species for treatment of cancer | 20171013 |
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 |
CA-3049643-A1 | Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same | 20170207 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0297759 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0297759 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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Benzimidazoles
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