1-Benzyl-5-chloro-2-phenyl-1H-imidazole
Basic information
- CAS
92873-36-4- Standard SMILES
Clc1cnc(-c2ccccc2)n1Cc1ccccc1- InChIKey
SNEKQFNOLAGALA-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2
- Average molar mass
- 268.74 g/mol
- Monoisotopic mass
- 268.0767261
Names & identifiers
- Preferred name
- 1-Benzyl-5-chloro-2-phenyl-1H-imidazole
- IUPAC
- 1-benzyl-5-chloro-2-phenylimidazole
- English name
- NSC19472
- Molecular formula
- C16H13ClN2
- Molecular weight
- 268.74
Names & synonyms
1-Benzyl-5-chloro-2-phenyl-1H-imidazole92873-36-4DTXSID10280972RefChem:228110DTXCID402321261-benzyl-5-chloro-2-phenylimidazoleCHEMBL149954NSC19472BDBM50123263NSC-19472AJ-333/361170261H-Imidazole, 5-chloro-2-phenyl-1-(phenylmethyl)-
Database identifiers
- CAS
92873-36-4- PubChem CID
- 227609
- DTXSID
DTXSID10280972- ChEMBL
CHEMBL149954- Nikkaji
- J1.874.219E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 457 · 457.0±47.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 4.66 · 4.66±0.34(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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