| CAS Number | 1269132-72-0 |
| Catalog Number | AG01EIFT |
| Chemical Name | 1-(4-methylpyridin-2-yl)-1H-1,3-benzodiazole |
| IUPAC Name | 1-(4-methylpyridin-2-yl)benzimidazole |
| InChI | InChI=1S/C13H11N3/c1-10-6-7-14-13(8-10)16-9-15-11-4-2-3-5-12(11)16/h2-9H,1H3 |
| InChI Key | VNLUSNSQGYWNQU-UHFFFAOYSA-N |
| MDL Number | MFCD18516484 |
| Molecular Formula | C13H11N3 |
| Molecular Weight | 209.2465 |
| SMILES | CC1=CC(N2C3=C(C=CC=C3)N=C2)=NC=C1 |
| Synonyms | ZINC65422474,
MCULE-6578550673,
1-(4-methylpyridin-2-yl)-1H-benzimidazole,
1-(4-METHYLPYRIDIN-2-YL)-1H-1,3-BENZODIAZOLE,
1269132-72-0,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.252g/mol |
| Monoisotopic Mass | 209.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number