Basic information
- CAS
4751-41-1- Standard SMILES
c1ccc2[nH]c(-c3ccc(-c4nc5ccccc5[nH]4)o3)nc2c1- InChIKey
TZHPWEUMBMSGIS-UHFFFAOYSA-N- Molecular formula
- C18H12N4O
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.10111102
Names & identifiers
- Preferred name
- 2,2'-(2,5-Furandiyl)bis-1H-benzimidazole
- IUPAC
- 2-[5-(1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole
- English name
- 2,2'-(2,5-furandiyl)bis-1H-benzimidazole
- Molecular formula
- C18H12N4O
- Molecular weight
- 300.31
Names & synonyms
2,2'-(2,5-Furandiyl)bis-1H-benzimidazole4751-41-12,2'-(2,5-Furandiyl)bis[1H-benzimidazole]EINECS 225-273-5CBDivE_0140152-[5-(1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazoleSCHEMBL8344938DTXSID80197169NS000316981H-Benzimidazole, 2,2'-(2,5-furandiyl)bis-2,2'-(Furan-2,5-diyl)bis(1H-1,3-benzimidazole)2-[5-(1H-Benzimidazol-2-yl)-2-furyl]-1H-benzimidazole #
Database identifiers
- CAS
4751-41-1- PubChem CID
- 78488
- DTXSID
DTXSID80197169- EC Number
- 225-273-5
- Nikkaji
- J262.431A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 292 · 292-293.5 °C
- Boiling point
- 627.5 · 627.5±65.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- pka
- 10.77 · 10.77±0.10(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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