| CAS Number | 38224-22-5 |
| Catalog Number | AG01EVRJ(AGN-PC-0O9LP1) |
| Chemical Name | 2-(4-Cyanophenyl)-1H-benzo[d]imidazole-6-carbonitrile |
| IUPAC Name | 2-(4-cyanophenyl)-3H-benzimidazole-5-carbonitrile |
| InChI | InChI=1S/C15H8N4/c16-8-10-1-4-12(5-2-10)15-18-13-6-3-11(9-17)7-14(13)19-15/h1-7H,(H,18,19) |
| InChI Key | JNLJKTGFGYSDIO-UHFFFAOYSA-N |
| MDL Number | MFCD07782940 |
| Molecular Formula | C15H8N4 |
| Molecular Weight | 244.2508 |
| SMILES | C12=CC(C#N)=CC=C1N=C(C1C=CC(C#N)=CC=1)N2 |
| Synonyms | 38224-22-5,
2-(4-Cyanophenyl)benzimidazole-6-carbonitrile,
2-(4-Cyanophenyl)-1H-benzo[d]imidazole-6-carbonitrile,
AKOS017266430,
ZINC105668503,
J3.525.529J,
2-(4-Cyanophenyl)-1H-benzoimidazole-6-carbonitrile,
|
| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.257g/mol |
| Monoisotopic Mass | 244.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number