3-Methyl-1-(4-phenylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Basic information
- CAS
354131-66-1- Standard SMILES
Cc1cc(N2CCN(c3ccccc3)CC2)n2c(nc3ccccc32)c1C#N- InChIKey
XXEYDWQRVNODFO-UHFFFAOYSA-N- Molecular formula
- C23H21N5
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.17969569
Names & identifiers
- Preferred name
- 3-Methyl-1-(4-phenylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 3-methyl-1-(4-phenylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 3-methyl-1-(4-phenylpiperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
- Molecular formula
- C23H21N5
- Molecular weight
- 367.45
Names & synonyms
354131-66-13-methyl-1-(4-phenylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile3-methyl-1-(4-phenylpiperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile11-methyl-13-(4-phenylpiperazin-1-yl)-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrileOprea1_205750Oprea1_336038HMS1652C22STK1049513-methyl-1-(4-phenyl-1-piperazinyl)pyrido[1,2-a]benzimidazole-4-carbonitrileAKOS001327874UPCMLD0ENAT5755283:001EU-0012722
Show more names
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-(4-phenyl-1-piperazinyl)-
ST50053038AO-476/14976024SR-01000500287SR-01000500287-1Z57393397F1092-00672-methyl-4-(4-phenylpiperazinyl)-5-hydropyridino[1,2-a]benzimidazolecarbonitri le3-ME-1-(4-PHENYL-PIPERAZIN-1-YL)-BENZO(4,5)IMIDAZO(1,2-A)PYRIDINE-4-CARBONITRILE
Database identifiers
- CAS
354131-66-1- PubChem CID
- 984657
- EC Number
- 164-086-2
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 585
Physicochemical properties
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 7.25 · 7.25±0.50(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Compound notes
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