| CAS Number | 568544-06-9 |
| Catalog Number | AG019GVU(AGN-PC-0KFOEN) |
| Chemical Name | 2-(1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)ethan-1-one |
| IUPAC Name | 2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone |
| InChI | InChI=1S/C16H14N2O/c1-11-6-8-12(9-7-11)15(19)10-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18) |
| InChI Key | DHTWLFZXAYBQAC-UHFFFAOYSA-N |
| MDL Number | MFCD03965294 |
| Molecular Formula | C16H14N2O |
| Molecular Weight | 250.2952 |
| SMILES | CC1=CC=C(C(CC2NC3=C(C=CC=C3)N=2)=O)C=C1 |
| Synonyms | 2-(1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)ethan-1-one,
568544-06-9,
2-(1H-Benzoimidazol-2-yl)-1-p-tolyl-ethanone,
AC1M5VCV,
AC1Q2JO4,
MLS001177879,
CHEMBL1489721,
HMS2915A21,
ZINC3269799,
AKOS000115215,
NE18500,
SMR000596382,
EN300-01450,
2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone,
ZINC03269799,
CID2386123,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.301g/mol |
| Monoisotopic Mass | 250.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number