Basic information
- CAS
312757-54-3- Standard SMILES
Cc1cc(N2CCN(C)CC2)n2c(nc3ccccc32)c1C#N- InChIKey
VNYWJJHYUBPQIA-UHFFFAOYSA-N- Molecular formula
- C18H19N5
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.16404563
Names & identifiers
- Preferred name
- 3-Methyl-1-(4-methylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 3-methyl-1-(4-methylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 3-methyl-1-(4-methylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
- Molecular formula
- C18H19N5
- Molecular weight
- 305.38
Names & synonyms
5849-30-93-methyl-1-(4-methylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile3-Methyl-1-(4-methyl-1-piperazinyl)pyrido[1,2-a]benzimidazole-4-carbonitrileChemDiv1_019124Oprea1_417103Oprea1_496589SCHEMBL14478818HMS641F06DTXSID20338711VNYWJJHYUBPQIA-UHFFFAOYSA-NSTL338424AKOS000542698
Show more names
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-(4-methyl-1-piperazinyl)-
ST50562081AB00099209-01SR-01000395580SR-01000395580-1Q63395452Z571678812-methyl-4-(4-methylpiperazinyl)-5-hydropyridino[1,2-a]benzimidazolecarbonitri le3-ME-1-(4-METHYL-PIPERAZIN-1-YL)-BENZO(4,5)IMIDAZO(1,2-A)PYRIDINE-4-CARBONITRILE
Database identifiers
- CAS
312757-54-3、5849-30-9- PubChem CID
- 550772
- DTXSID
DTXSID20338711- EC Number
- 164-093-0
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 7.25 · 7.25±0.50(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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