| CAS Number | 748792-94-1 |
| Catalog Number | AG019GRT |
| Chemical Name | 3-(1-phenyl-1H-1,3-benzodiazol-2-yl)propanoic acid |
| IUPAC Name | 3-(1-phenylbenzimidazol-2-yl)propanoic acid |
| InChI | InChI=1S/C16H14N2O2/c19-16(20)11-10-15-17-13-8-4-5-9-14(13)18(15)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20) |
| InChI Key | DTOHJQTXBPSUKB-UHFFFAOYSA-N |
| MDL Number | MFCD03654998 |
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.2946 |
| SMILES | OC(CCC1N(C2=CC=CC=C2)C2=C(C=CC=C2)N=1)=O |
| Synonyms | 3-(1-phenyl-1H-1,3-benzodiazol-2-yl)propanoic acid,
3-(1-Phenyl-1H-benzoimidazol-2-yl)-propionic acid,
748792-94-1,
Enamine_003780,
AC1NQ9XT,
AC1Q75AY,
CTK7J3140,
HMS1404L18,
AKOS000114825,
ZINC169615805,
MCULE-5408815169,
NE12542,
IDI1_007423,
3-(1-phenylbenzimidazol-2-yl)propanoic acid,
EN300-00927,
AB00714273-01,
Z56853750,
CID5172073,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.3g/mol |
| Monoisotopic Mass | 266.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number