Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-
Basic information
- CAS
108612-52-8- Standard SMILES
CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(C#N)cc2)CC1- InChIKey
YMNVBJIOEDEBBD-UHFFFAOYSA-N- Molecular formula
- C25H25N7O
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.21205845
Names & identifiers
- Preferred name
- Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-
- IUPAC
- 4-[[2-[4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]benzimidazol-1-yl]methyl]benzonitrile
Names & synonyms
108612-52-8Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-DTXSID20148610RefChem:328042DTXCID7071101SCHEMBL103379634-[(2-{4-[Methyl(6-oxo-1,6-dihydropyrimidin-2-yl)amino]piperidin-1-yl}-1H-1,3-benzimidazol-1-yl)methyl]benzonitrile
Database identifiers
- CAS
108612-52-8- PubChem CID
- 3065664
- DTXSID
DTXSID20148610
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 816
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Compound notes
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