| CAS Number | 29898-72-4 |
| Catalog Number | AG00BIEE(AGN-PC-0NHSAE) |
| Chemical Name | 4-(4,5-Diphenyl-1H-imidazol-2-yl)benzonitrile |
| IUPAC Name | 4-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile |
| InChI | InChI=1S/C22H15N3/c23-15-16-11-13-19(14-12-16)22-24-20(17-7-3-1-4-8-17)21(25-22)18-9-5-2-6-10-18/h1-14H,(H,24,25) |
| InChI Key | KGOZFYOJDPVGMV-UHFFFAOYSA-N |
| MDL Number | MFCD15474815 |
| Molecular Formula | C22H15N3 |
| Molecular Weight | 321.3746 |
| SMILES | N#CC1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonyms | 4-(4,5-diphenyl-1h-imidazol-2-yl)benzonitrile,
29898-72-4,
Benzonitrile, 4-(4,5-diphenyl-1H-imidazol-2-yl)-,
SCHEMBL4551614,
CTK0J1014,
DTXSID00477551,
MFCD15474815,
ZINC38856099,
2-(4-Cyanophenyl)-4,5-diphenylimidazole,
D4655,
2-(4-Cyanophenyl)-4,5-diphenyl-1H-imidazole,
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| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.383g/mol |
| Monoisotopic Mass | 321.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number