Basic information
- CAS
50916-04-6- Standard SMILES
COc1cc(C(=O)N2CCN=C2C)cc(OC)c1OC- InChIKey
AIUYHUNPKANBLG-UHFFFAOYSA-N- Molecular formula
- C14H18N2O4
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.12665706
Names & identifiers
- Preferred name
- Ketone, 2-methyl-2-imidazolin-1-YL 3,4,5-trimethoxyphenyl-
- IUPAC
- (2-methyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Names & synonyms
KETONE, 2-METHYL-2-IMIDAZOLIN-1-YL 3,4,5-TRIMETHOXYPHENYL-50916-04-6BRN 05578522-Imidazoline, 2-methyl-1-(3,4,5-trimethoxybenzoyl)-DTXSID00198951(2-methyl-4,5-dihydro-1H-imidazol-1-yl)(3,4,5-trimethoxyphenyl)methanone
Database identifiers
- CAS
50916-04-6- PubChem CID
- 39845
- DTXSID
DTXSID00198951- Nikkaji
- J62.523J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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