1-Cyclohexyl-5-fluoro-2-methyl-1,3-benzodiazole - CAS 1381944-50-8
Catalog: |
BB062653 |
Product Name: |
1-Cyclohexyl-5-fluoro-2-methyl-1,3-benzodiazole |
CAS: |
1381944-50-8 |
Synonyms: |
1-Cyclohexyl-5-fluoro-2-methyl-1,3-benzodiazole; 1-cyclohexyl-5-fluoro-2-methylbenzimidazole; 1-Cyclohexyl-5-fluoro-2-methyl-1H-benzimidazole |
IUPAC Name: | 1-cyclohexyl-5-fluoro-2-methylbenzimidazole |
Description: | 1-Cyclohexyl-5-fluoro-2-methyl-1,3-benzodiazole |
Molecular Weight: | 232.3 |
Molecular Formula: | C14H17FN2 |
Canonical SMILES: | CC1=NC2=C(N1C3CCCCC3)C=CC(=C2)F |
InChI: | InChI=1S/C14H17FN2/c1-10-16-13-9-11(15)7-8-14(13)17(10)12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3 |
InChI Key: | PYXVFVWAZSKRGR-UHFFFAOYSA-N |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.13757671 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.13757671 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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