(5-Fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
Basic information
- CAS
756834-39-6- Standard SMILES
O=C(c1cnc2nc3ccccc3n2c1)c1cc(F)ccc1O- InChIKey
KAHLXPDRKOXGQB-UHFFFAOYSA-N- Molecular formula
- C17H10FN3O2
- Average molar mass
- 307.28 g/mol
- Monoisotopic mass
- 307.07570473
Names & identifiers
- Preferred name
- (5-Fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
- IUPAC
- (5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
Names & synonyms
(5-fluoro-2-hydroxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanoneMLS000394008CHEMBL1577053DTXSID801326760HMS1738O21HMS2736I08AKOS034448069756834-39-6SMR000241552Z55864123(5-fluoro-2-hydroxyphenyl)(pyrimido[1,2-a]benzimidazol-3-yl)methanone
Database identifiers
- CAS
756834-39-6- PubChem CID
- 3602941
- DTXSID
DTXSID801326760- ChEMBL
CHEMBL1577053
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
Experimental & physicochemical properties
Solubility9.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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