4H-Imidazol-4-one, 3,5-dihydro-3-(3-(1H-benzimidazol-2-yl)phenyl)-5-((3,4-dimethoxyphenyl)methylene)-2-methyl-
Basic information
- CAS
90660-84-7- Standard SMILES
COc1ccc(/C=C2\N=C(C)N(c3cccc(-c4nc5ccccc5[nH]4)c3)C2=O)cc1OC- InChIKey
FWRQCLZKTJHOMC-XKZIYDEJSA-N- Molecular formula
- C26H22N4O3
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.16919058
Names & identifiers
- Preferred name
- 4H-Imidazol-4-one, 3,5-dihydro-3-(3-(1H-benzimidazol-2-yl)phenyl)-5-((3,4-dimethoxyphenyl)methylene)-2-methyl-
- IUPAC
- (5Z)-3-[3-(1H-benzimidazol-2-yl)phenyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-methylimidazol-4-one
Names & synonyms
4H-Imidazol-4-one, 3,5-dihydro-3-(3-(1H-benzimidazol-2-yl)phenyl)-5-((3,4-dimethoxyphenyl)methylene)-2-methyl-90660-84-7RefChem:1071956
Database identifiers
- CAS
90660-84-7- PubChem CID
- 6435488
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 783
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