2-(2-(3-(hydroxymethyl)piperidin-1-yl)-1H-benzo[d]imidazol-1-yl)nicotinonitrile
Basic information
- CAS
1146080-74-1- Standard SMILES
N#Cc1cccnc1-n1c(N2CCCC(CO)C2)nc2ccccc21- InChIKey
YWPNLDWNJSXZJM-UHFFFAOYSA-N- Molecular formula
- C19H19N5O
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.15896025
Names & identifiers
- Preferred name
- 2-(2-(3-(hydroxymethyl)piperidin-1-yl)-1H-benzo[d]imidazol-1-yl)nicotinonitrile
- IUPAC
- 2-[2-[3-(hydroxymethyl)piperidin-1-yl]benzimidazol-1-yl]pyridine-3-carbonitrile
- English name
- 2-[2-(3-HydroxyMethyl-piperidin-1-yl)-benzoiMidazol-1-yl]-nicotinonitrile, 98+% C19H19N5O, MW: 333.39
- Molecular formula
- C19H19N5O
- Molecular weight
- 333.39
Names & synonyms
1146080-74-12-(2-(3-(hydroxymethyl)piperidin-1-yl)-1H-benzo[d]imidazol-1-yl)nicotinonitrile2-[2-[3-(hydroxymethyl)piperidin-1-yl]benzimidazol-1-yl]pyridine-3-carbonitrile2-[2-(3-Hydroxymethyl-piperidin-1-yl)-benzoimidazol-1-yl]-nicotinonitrile3-Pyridinecarbonitrile, 2-[2-[3-(hydroxymethyl)-1-piperidinyl]-1H-benzimidazol-1-yl]-2-{2-[3-(hydroxymethyl)piperidin-1-yl]-1H-1,3-benzodiazol-1-yl}pyridine-3-carbonitrileDTXSID10671381SBB075719AKOS015941614DB-292482G697432-{2-[3-(hydroxymethyl)piperidyl]benzimidazolyl}pyridine-3-carbonitrile
Show more names
2-[2-[3-(Hydroxymethyl)-1-piperidinyl]-1H-benzimidazol-1-yl]-3-pyridinecarbonitrile2-[2-(3-HydroxyMethyl-piperidin-1-yl)-benzoiMidazol-1-yl]-nicotinonitrile, 98+% C19H19N5O, MW: 333.39
2-[2-[3-(hydroxymethyl)-1-piperidyl]benzimidazol-1-yl]pyridine-3-carbonitrile2-{2-[3-(Hydroxymethyl)piperidin-1-yl]-1H-1,3-benzimidazol-1-yl}pyridine-3-carbonitrile2-{2-[3-(Hydroxymethyl)piperidin-1-yl]-1H-benzimidazol-1-yl}pyridine-3-carbonitrile
Database identifiers
- CAS
1146080-74-1- PubChem CID
- 45786607
- DTXSID
DTXSID10671381
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Boiling point
- 600.1 · 600.1±63.0 °C(Predicted)
- Density
- 1.33 · 1.33
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.93 · 14.93±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
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Compound notes
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