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Molecule
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
Identifiers
CAS Registry Number
3878-19-1
SMILES
c1coc(-c2nc3ccccc3[nH]2)c1
InChI Key
UYJUZNLFJAWNEZ-UHFFFAOYSA-N
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)
Names and Synonyms
- Fuberidazole Synonym
- 1H-Benzimidazole, 2-(2-furanyl)- Synonym
- Benzimidazole, 2-(2-furyl)- Synonym
- 2-(2-Furanyl)-1H-benzimidazole Synonym
- Furidazole Synonym
- 2-(2-Furyl)benzimidazole Synonym
- B 33172 Synonym
- Bayer 33172 Synonym
- Fuberidazol Synonym
- Voronit Synonym
- BAY 33172 Synonym
- Fuberidazole Synonym
- Furidazol Synonym
- 2-(2′-Furyl)benzimidazole Synonym
- PF 7402 Synonym
- 2-(2-Furanyl)benzimidazole Synonym
- NSC 72670 Synonym
- 2-(Furan-2-yl)benzimidazole Synonym
- 2-(2′-Furanyl)benzimidazole Synonym
- 2-(Furan-2-yl)-1H-benzo[d]imidazole Synonym
- 2-(Furan-2-yl)-1H-1,3-benzodiazole Synonym
- 2-(2-Furyl)-1H-benzimidazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.20 g/mol | CAS Common Chemistry |
| 184.198 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 |
| 2.8229 | RDKit | |
| Molar Refractivity | 53.79570000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 184.063662876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 184.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H8N2O.
