Basic information
- CAS
68426-04-0- Standard SMILES
CC1=NC(c2ccccc2)N(C(=O)NCC2(C)CC(NC(=O)N3CC(C)=NC3c3ccccc3)CC(C)(C)C2)C1- InChIKey
WBYYWEMMEVPLFM-UHFFFAOYSA-N- Molecular formula
- C32H42N6O2
- Average molar mass
- 542.7 g/mol
- Monoisotopic mass
- 542.3369246
Names & identifiers
- Preferred name
- 1-((2-Phenyl-4-methyl-2-imidazolin-1-yl)carbonylaminomethyl)-3-((2-phenyl-4-methyl-2-imidazolin-1-yl)carbonylamino)-1,5,5-trimethylcyclohexane
- IUPAC
- 5-methyl-2-phenyl-N-[[1,3,3-trimethyl-5-[(5-methyl-2-phenyl-2,4-dihydroimidazole-3-carbonyl)amino]cyclohexyl]methyl]-2,4-dihydroimidazole-3-carboxamide
Names & synonyms
EINECS 270-383-91-((2-Phenyl-4-methyl-2-imidazolin-1-yl)carbonylaminomethyl)-3-((2-phenyl-4-methyl-2-imidazolin-1-yl)carbonylamino)-1,5,5-trimethylcyclohexaneN-(3-((((4,5-Dihydro-4-methyl-2-phenyl-1H-imidazol-1-yl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)-4,5-dihydro-4-methyl-2-phenyl-1H-imidazole-1-carboxamide
Database identifiers
- CAS
68426-04-0- PubChem CID
- 109366
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 995
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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