Basic information
- CAS
87236-19-9- Standard SMILES
CC(C)n1cnc2c(=O)oc3ccccc3c21- InChIKey
VOQYOAGHEUDKBD-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-(1-methylethyl)-
- IUPAC
- 1-propan-2-ylchromeno[3,4-d]imidazol-4-one
Names & synonyms
87236-19-9(1)BENZOPYRANO(3,4-d)IMIDAZOL-4(1H)-ONE, 1-(1-METHYLETHYL)-1-(1-Methylethyl)-(1)benzopyrano(3,4-d)imidazol-4(1H)-oneDTXSID50236216RefChem:203826DTXCID501587071-isopropylchromeno[3,4-d]imidazol-4(1H)-one1-propan-2-ylchromeno[3,4-d]imidazol-4-oneOprea1_304978Oprea1_427887SCHEMBL300133CHEMBL4524791
Show more names
SCHEMBL29831956AKOS000635992AB00081696-011-(Propan-2-yl)[1]benzopyrano[3,4-d]imidazol-4(1H)-one
Database identifiers
- CAS
87236-19-9- PubChem CID
- 55657
- DTXSID
DTXSID50236216- ChEMBL
CHEMBL4524791
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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