| CAS Number | 1421262-04-5 |
| Catalog Number | AG01FE6V(AGN-PC-3H4A14) |
| Chemical Name | 2-(Pyridin-4-yl)-1H-benzo[d]imidazole-6-carbonitrile |
| IUPAC Name | 2-pyridin-4-yl-3H-benzimidazole-5-carbonitrile |
| InChI | InChI=1S/C13H8N4/c14-8-9-1-2-11-12(7-9)17-13(16-11)10-3-5-15-6-4-10/h1-7H,(H,16,17) |
| InChI Key | YVSAFCCYZKPWGE-UHFFFAOYSA-N |
| MDL Number | MFCD22581241 |
| Molecular Formula | C13H8N4 |
| Molecular Weight | 220.2294 |
| SMILES | N#Cc1ccc2c(c1)[nH]c(n2)c1ccncc1 |
| Synonyms | 6-Cyano-2-(4-pyridyl)benzimidazole,
1421262-04-5,
2-(Pyridin-4-yl)-1H-benzo[d]imidazole-6-carbonitrile,
MFCD22581241,
ZINC75934891,
AKOS017266398,
6-Cyano-2-(4-pyridyl)benzimidazole, AldrichCPR,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.235g/mol |
| Monoisotopic Mass | 220.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number