4-(1H-benzimidazol-2-yl)quinoline
Basic information
- CAS
31704-11-7- Standard SMILES
c1ccc2[nH]c(-c3ccnc4ccccc34)nc2c1- InChIKey
WQWLWMHHMQYNIE-UHFFFAOYSA-N- Molecular formula
- C16H11N3
- Average molar mass
- 245.28 g/mol
- Monoisotopic mass
- 245.09529736
Overview
4-(1H-benzimidazol-2-yl)quinoline is a member of quinolines.
Names & identifiers
- Preferred name
- 4-(1H-benzimidazol-2-yl)quinoline
- IUPAC
- 4-(1H-benzimidazol-2-yl)quinoline
- English name
- 2-(4'-quinoline)benzimidazole
- Molecular formula
- C16H11N3
- Molecular weight
- 245.28
Names & synonyms
31704-11-74-(1H-benzimidazol-2-yl)quinolineDTXSID00352319RefChem:286769DTXCID803033844-(1H-Benzo[d]imidazol-2-yl)quinolineQuinoline, 4-(1H-benzimidazol-2-yl)-2-(4-quinolyl)benzimidazoleMLS000108132SMR000104094WAY-358400-A4-(1H-1,3-BENZODIAZOL-2-YL)QUINOLINE
Show more names
regid7971978Cambridge id 5727127Oprea1_3004822-(4'-quinoline)benzimidazolecid_723044SCHEMBL30780704-(benzimidazol-2-yl)quinolineCHEMBL1380882
Database identifiers
- CAS
31704-11-7- PubChem CID
- 723044
- DTXSID
DTXSID00352319- ChEMBL
CHEMBL1380882- ChEBI
CHEBI:109389- Nikkaji
- J1.761.921G
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Additional notes
DefinitionChEBI: 4-(1H-benzimidazol-2-yl)quinoline is a member of quinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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