4(1H)-Pyrimidinone, 2-(ethyl(1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-
Basic information
- CAS
108612-62-0- Standard SMILES
CCN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1- InChIKey
BSMHMUCRKHWBRS-UHFFFAOYSA-N- Molecular formula
- C25H27FN6O
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.22303767
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 2-(ethyl(1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-
- IUPAC
- 2-[ethyl-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one
Names & synonyms
108612-62-04(1H)-Pyrimidinone, 2-(ethyl(1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-DTXSID20148615RefChem:283580DTXCID20711062-[Ethyl(1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzimidazol-2-yl}piperidin-4-yl)amino]pyrimidin-4(3H)-one
Database identifiers
- CAS
108612-62-0- PubChem CID
- 3065670
- DTXSID
DTXSID20148615
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 743
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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