Basic information
- CAS
122027-54-7- Standard SMILES
c1ccc(C(Cc2cnc[nH]2)c2cccnc2)cc1- InChIKey
FNTVGFWNSZPDQN-UHFFFAOYSA-N- Molecular formula
- C16H15N3
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.12659749
Names & identifiers
- Preferred name
- Pyridine, 3-(2-(1H-imidazol-4-yl)-1-phenylethyl)-
- IUPAC
- 3-[2-(1H-imidazol-5-yl)-1-phenylethyl]pyridine
- English name
- Pyridine, 3-(2-(1H-imidazol-4-yl)-1-phenylethyl)-
- Molecular formula
- C16H15N3
- Molecular weight
- 249.31
Names & synonyms
122027-54-7BRN 4188482Pyridine, 3-(2-(1H-imidazol-4-yl)-1-phenylethyl)-3-(2-(1H-Imidazol-4-yl)-1-phenylethyl)pyridineRefChem:3766953-[2-(1H-imidazol-5-yl)-1-phenylethyl]pyridineDTXSID50924060L002950Pyridine, 3-[2-(1H-imidazol-5-yl)-1-phenylethyl]-
Database identifiers
- CAS
122027-54-7- PubChem CID
- 3078636
- DTXSID
DTXSID50924060
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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