Basic information
- CAS
384860-94-0- Standard SMILES
Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O- InChIKey
CFDKODADDDUPEN-UHFFFAOYSA-N- Molecular formula
- C22H18ClN5O2
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.1149025
Names & identifiers
- Preferred name
- 7-(4-chlorophenyl)-1,3-dimethyl-8-(phenylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
- IUPAC
- 6-benzyl-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
- English name
- 7-(4-chlorophenyl)-1,3-dimethyl-8-(phenylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
- Molecular formula
- C22H18ClN5O2
- Molecular weight
- 419.86
Names & synonyms
384860-94-07-(4-chlorophenyl)-1,3-dimethyl-8-(phenylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione6-benzyl-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione8-benzyl-7-(4-chlorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dioneChemDiv1_027834Oprea1_610003HMS666B04STK542089AKOS005471621ST037956AG-205/40649539SR-01000532699
Show more names
1H-Imidazo[2,1-f]purine-2,4(3H,8H)-dione, 7-(4-chlorophenyl)-1,3-dimethyl-8-(phenylmethyl)- (9CI)
SR-01000532699-17-(4-chlorophenyl)-1,3-dimethyl-8-benzyl-1,3,5-trihydro-4-imidazolino[1,2-h]pu rine-2,4-dione
Database identifiers
- CAS
384860-94-0- PubChem CID
- 1202133
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 678
Physicochemical properties
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 6.49 · 6.49±0.20(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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