| CAS Number | 568551-30-4 |
| Catalog Number | AG019GVL(AGN-PC-0KFROI) |
| Chemical Name | 2-(1H-1,3-benzodiazol-2-yl)-1-(4-bromophenyl)ethan-1-one |
| IUPAC Name | 2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone |
| InChI | InChI=1S/C15H11BrN2O/c16-11-7-5-10(6-8-11)14(19)9-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,17,18) |
| InChI Key | YHPOVKCXHPJISA-UHFFFAOYSA-N |
| MDL Number | MFCD03966909 |
| Molecular Formula | C15H11BrN2O |
| Molecular Weight | 315.1646 |
| SMILES | BrC1=CC=C(C(CC2NC3=C(C=CC=C3)N=2)=O)C=C1 |
| Synonyms | 2-(1H-1,3-benzodiazol-2-yl)-1-(4-bromophenyl)ethan-1-one,
568551-30-4,
2-(1H-Benzoimidazol-2-yl)-1-(4-bromo-phenyl)-ethanone,
AC1M66SJ,
AC1Q24MR,
MLS001005144,
CHEMBL1305912,
CTK5I7054,
HMS2753K20,
ZINC3276905,
AKOS000115203,
MCULE-1041903566,
NE12700,
SMR000378020,
EN300-01425,
2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone,
ZINC03276905,
CID2392375,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.17g/mol |
| Monoisotopic Mass | 314.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number