5-[1-(2,6-Dimethylphenyl)prop-1-en-2-yl]-1H-imidazole
Basic information
- CAS
86347-52-6- Standard SMILES
CC(=Cc1c(C)cccc1C)c1cnc[nH]1- InChIKey
LGMTYLOYHNSDNR-UHFFFAOYSA-N- Molecular formula
- C14H16N2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.13134852
Names & identifiers
- Preferred name
- 5-[1-(2,6-Dimethylphenyl)prop-1-en-2-yl]-1H-imidazole
- IUPAC
- 5-[1-(2,6-dimethylphenyl)prop-1-en-2-yl]-1H-imidazole
Names & synonyms
86347-52-65-[1-(2,6-Dimethylphenyl)prop-1-en-2-yl]-1H-imidazoleSCHEMBL9308399DTXSID40708533
Database identifiers
- CAS
86347-52-6- PubChem CID
- 54032377
- DTXSID
DTXSID40708533
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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