| CAS Number | 1403483-73-7 |
| Catalog Number | AG009WRS(AGN-PC-0WA4JG) |
| Chemical Name | 1-Cyclopentyl-2-methyl-1,3-benzodiazole-5-carbonitrile |
| IUPAC Name | 1-cyclopentyl-2-methylbenzimidazole-5-carbonitrile |
| InChI | InChI=1S/C14H15N3/c1-10-16-13-8-11(9-15)6-7-14(13)17(10)12-4-2-3-5-12/h6-8,12H,2-5H2,1H3 |
| InChI Key | SBILYRHINIATQI-UHFFFAOYSA-N |
| MDL Number | MFCD22549349 |
| Molecular Formula | C14H15N3 |
| Molecular Weight | 225.2890 |
| SMILES | N#Cc1ccc2c(c1)nc(n2C1CCCC1)C |
| Synonyms | 1-CYCLOPENTYL-2-METHYL-1,3-BENZODIAZOLE-5-CARBONITRILE,
1403483-73-7,
KM5700,
ZINC95496053,
AKOS026673279,
V3069,
C14H15N3,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.295g/mol |
| Monoisotopic Mass | 225.127g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number