Basic information
- CAS
87236-18-8- Standard SMILES
CCCn1cnc2c(=O)oc3ccccc3c21- InChIKey
MAIPMUKCRMAMJS-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- (1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-propyl-
- IUPAC
- 1-propylchromeno[3,4-d]imidazol-4-one
Names & synonyms
(1)BENZOPYRANO(3,4-d)IMIDAZOL-4(1H)-ONE, 1-PROPYL-1-Propyl-(1)benzopyrano(3,4-d)imidazol-4(1H)-one87236-18-8DTXSID90236215RefChem:203834DTXCID90158706BAS 010523841-propylchromeno[3,4-d]imidazol-4-one1-Propyl-1H-chromeno[3,4-d]imidazol-4-oneOprea1_345618Oprea1_628598MLS000121254
Show more names
SCHEMBL300113CHEMBL1533585SCHEMBL29831885HMS2332F23AKOS024347945NCGC00245229-01SMR000118649ST45138577
Database identifiers
- CAS
87236-18-8- PubChem CID
- 55656
- DTXSID
DTXSID90236215- ChEMBL
CHEMBL1533585
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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