1H-Benzimidazole, 2-(2-(1H-indol-3-yl)ethyl)-
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Basic information
- CAS
161806-39-9- Standard SMILES
c1ccc2[nH]c(CCc3c[nH]c4ccccc34)nc2c1- InChIKey
RZJAUSDHHRSXHT-UHFFFAOYSA-N- Molecular formula
- C17H15N3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.12659749
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 2-(2-(1H-indol-3-yl)ethyl)-
- IUPAC
- 2-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazole
- English name
- 2-[2-(1H-indol-3-yl)ethyl]-1H-benzoimidazole
- Molecular formula
- C17H15N3
- Molecular weight
- 261.32
Names & synonyms
161806-39-93-(2-(2-Benzimidazolyl)ethyl)indole2-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazole1H-Benzimidazole, 2-(2-(1H-indol-3-yl)ethyl)-2-(2-(1H-Indol-3-yl)ethyl)-1H-benzimidazoleDTXSID00167243RefChem:237500DTXCID90897342-[2-(1H-INDOL-3-YL)ETHYL]-1H-BENZOIMIDAZOLE2-[2-(1H-Indol-3-yl)ethyl]-1H-1,3-benzimidazole1H-Benzimidazole, 2-[2-(1H-indol-3-yl)ethyl]-
Database identifiers
- CAS
161806-39-9- PubChem CID
- 3074802
- DTXSID
DTXSID00167243- Nikkaji
- J629.329H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 578.1 · 578.1±33.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- pka
- 11.97 · 11.97±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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