2,5-Diethyl-7,8-dimethyl-1,3-dioxopyrimido[1,6-a]benzimidazole-4-carbonitrile
Basic information
- Standard SMILES
CCn1c(=O)c(C#N)c2n(CC)c3cc(C)c(C)cc3n2c1=O- InChIKey
MGMQYKIRZQIMMX-UHFFFAOYSA-N- Molecular formula
- C17H18N4O2
- Average molar mass
- 310.35 g/mol
- Monoisotopic mass
- 310.14297583
Names & identifiers
- Preferred name
- 2,5-Diethyl-7,8-dimethyl-1,3-dioxopyrimido[1,6-a]benzimidazole-4-carbonitrile
- IUPAC
- 2,5-diethyl-7,8-dimethyl-1,3-dioxopyrimido[1,6-a]benzimidazole-4-carbonitrile
Names & synonyms
NSC605237NSC-605237
Database identifiers
- PubChem CID
- 354239
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 632
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…