| CAS Number | 906816-19-1 |
| Catalog Number | AG01EYZR(AGN-PC-3H48IP) |
| Chemical Name | 3-(1H-Benzo[d]imidazol-2-yl)benzonitrile |
| IUPAC Name | 3-(1H-benzimidazol-2-yl)benzonitrile |
| InChI | InChI=1S/C14H9N3/c15-9-10-4-3-5-11(8-10)14-16-12-6-1-2-7-13(12)17-14/h1-8H,(H,16,17) |
| InChI Key | UTHJIZFNCKIADR-UHFFFAOYSA-N |
| MDL Number | MFCD11218395 |
| Molecular Formula | C14H9N3 |
| Molecular Weight | 219.2414 |
| SMILES | C12=CC=CC=C1N=C(C1C=CC=C(C#N)C=1)N2 |
| Synonyms | 3-(1H-Benzo[d]imidazol-2-yl)benzonitrile,
906816-19-1,
2-(3-Cyanophenyl)benzimidazole,
SCHEMBL3338846,
ZINC36962914,
AKOS009115218,
MCULE-3923624636,
2-(3-Cyanophenyl)benzimidazole, AldrichCPR,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.247g/mol |
| Monoisotopic Mass | 219.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number