Back to Search
2-(2′-Pyridyl)Benzimidazole
CAS: 1137-68-4 | C12H9N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1137-68-4
Molecular Formula:
C12H9N3
Molecular Mass:
195.23 g/mol
Names and Synonyms:
2-(2′-Pyridyl)Benzimidazole
1H-Benzimidazole, 2-(2-pyridinyl)-
Benzimidazole, 2-(2-pyridyl)-
2-(2-Pyridinyl)-1H-benzimidazole
2-(2-Pyridyl)benzimidazole
G 581
2-(2′-Pyrido)benzimidazole
2-(Pyridin-2-yl)benzimidazole
2-(2′-Pyridyl)benzimidazole
2-(2-Pyridyl)-1H-benzimidazole
NSC 110942
NSC 32814
2-(Pyridin-2-yl)-1H-benzo[d]imidazole
2,6-Bis(2-benzimidazol-2-yl)pyridine
2-(Pyridin-2-yl)-1H-1,3-benzodiazole
Identifiers:
SMILES:
c1ccc(-c2nc3ccccc3[nH]2)nc1
InChI:
InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)
Key Properties
Melting Point
220-221 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.23 g/mol | CAS Common Chemistry |
| 195.225 g/mol | RDKit | |
| 195.079647288 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC=CC1C2=NC=3C=CC=CC3N2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=YNFBMDWHEHETJW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 220-221 °C | CAS Common Chemistry |
| Name | 2-(2′-Pyridyl)benzimidazole | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 41.57 Ų | RDKit |
| LogP | 2.6248999999999993 | RDKit |
| Molar Refractivity | 59.324700000000014 | RDKit |
