Basic information
- CAS
87236-20-2- Standard SMILES
CCCCn1cnc2c(=O)oc3ccccc3c21- InChIKey
YFHMCKJEYNMAGY-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- (1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-butyl-
- IUPAC
- 1-butylchromeno[3,4-d]imidazol-4-one
Names & synonyms
(1)BENZOPYRANO(3,4-d)IMIDAZOL-4(1H)-ONE, 1-BUTYL-1-Butyl-(1)benzopyrano(3,4-d)imidazol-4(1H)-one87236-20-2DTXSID10236217RefChem:203828DTXCID10158708CHEMBL44470551-butylchromeno[3,4-d]imidazol-4-oneOprea1_221992Oprea1_238389SCHEMBL299683SCHEMBL29832422
Show more names
BDBM50513482AKOS024359753ST50989367SR-010003165761-Butyl[1]benzopyrano[3,4-d]imidazol-4(1H)-oneSR-01000316576-1
Database identifiers
- CAS
87236-20-2- PubChem CID
- 55658
- DTXSID
DTXSID10236217- ChEMBL
CHEMBL4447055
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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