2-(1H-Benzimidazol-2-yl)quinoline
Basic information
- CAS
14044-48-5- Standard SMILES
c1ccc2nc(-c3nc4ccccc4[nH]3)ccc2c1- InChIKey
XSJAMRUTJCSRNB-UHFFFAOYSA-N- Molecular formula
- C16H11N3
- Average molar mass
- 245.28 g/mol
- Monoisotopic mass
- 245.09529736
Names & identifiers
- Preferred name
- 2-(1H-Benzimidazol-2-yl)quinoline
- IUPAC
- 2-(1H-benzimidazol-2-yl)quinoline
- English name
- 2-(1H-Benzoimidazol-2-yl)-quinoline
- Molecular formula
- C16H11N3
- Molecular weight
- 245.28
Names & synonyms
14044-48-52-(1H-benzimidazol-2-yl)quinolineDTXSID80349429RefChem:249901DTXCID803004992-(1H-Benzo[d]imidazol-2-yl)quinoline2-(1H-Benzoimidazol-2-yl)-quinolineMLS0000687332-(1H-1,3-BENZODIAZOL-2-YL)QUINOLINESMR000008748Cambridge id 56373161-Methyl-3-cyanoquinolinium
Show more names
AKOS BC-1755Quinoline, 2-(1H-benzimidazol-2-yl)-
2-(2-quinolyl)benzimidazoleOprea1_253609Oprea1_719389SCHEMBL9142252-(2'-quinolyl)benzimidazolecid_646533CHEMBL1594961SCHEMBL31595811
Database identifiers
- CAS
14044-48-5- PubChem CID
- 646533
- DTXSID
DTXSID80349429- ChEMBL
CHEMBL1594961- Nikkaji
- J1.761.920I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 227 °C · 227 °C
- Boiling point
- 505.3 · 505.3±42.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.57 · 10.57±0.10(Predicted)
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Compound notes
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