| CAS Number | 1403483-86-2 |
| Catalog Number | AG009WRV(AGN-PC-0WA4IZ) |
| Chemical Name | 1-Cyclohexyl-2-methyl-1,3-benzodiazole-5-carbonitrile |
| IUPAC Name | 1-cyclohexyl-2-methylbenzimidazole-5-carbonitrile |
| InChI | InChI=1S/C15H17N3/c1-11-17-14-9-12(10-16)7-8-15(14)18(11)13-5-3-2-4-6-13/h7-9,13H,2-6H2,1H3 |
| InChI Key | BBXHNJQMXJUDEF-UHFFFAOYSA-N |
| MDL Number | MFCD22549340 |
| Molecular Formula | C15H17N3 |
| Molecular Weight | 239.3156 |
| SMILES | N#Cc1ccc2c(c1)nc(n2C1CCCCC1)C |
| Synonyms | 1-CYCLOHEXYL-2-METHYL-1,3-BENZODIAZOLE-5-CARBONITRILE,
1403483-86-2,
KM5695,
ZINC95496044,
V3082,
C15H17N3,
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.322g/mol |
| Monoisotopic Mass | 239.142g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number