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Fuberidazole
CAS: 3878-19-1 | C11H8N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3878-19-1
Molecular Formula:
C11H8N2O
Molecular Mass:
184.20 g/mol
Names and Synonyms:
Fuberidazole
1H-Benzimidazole, 2-(2-furanyl)-
Benzimidazole, 2-(2-furyl)-
2-(2-Furanyl)-1H-benzimidazole
Furidazole
2-(2-Furyl)benzimidazole
B 33172
Bayer 33172
Fuberidazol
Voronit
BAY 33172
Fuberidazole
Furidazol
2-(2′-Furyl)benzimidazole
PF 7402
2-(2-Furanyl)benzimidazole
NSC 72670
2-(Furan-2-yl)benzimidazole
2-(2′-Furanyl)benzimidazole
2-(Furan-2-yl)-1H-benzo[d]imidazole
2-(Furan-2-yl)-1H-1,3-benzodiazole
2-(2-Furyl)-1H-benzimidazole
Identifiers:
SMILES:
c1coc(-c2nc3ccccc3[nH]2)c1
InChI:
InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)
Key Properties
Melting Point
292 °C (decomp)
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 | 184.20 g/mol | CAS Common Chemistry |
| 184.198 g/mol | RDKit | |
| 184.063662876 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fuberidazole | CAS Common Chemistry |
| Name | Fuberidazole | CAS Common Chemistry |
| Canonical SMILES | N=1C=2C=CC=CC2NC1C=3OC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=UYJUZNLFJAWNEZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 292 °C (decomp) | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 41.82 Ų | RDKit |
| LogP | 2.8228999999999997 | RDKit |
| Molar Refractivity | 53.79570000000002 | RDKit |
