Basic information
- CAS
612522-91-5- Standard SMILES
CCCc1cc(NCc2cccnc2)n2c(nc3ccccc32)c1C#N- InChIKey
WJUYRENXUVYLQD-UHFFFAOYSA-N- Molecular formula
- C21H19N5
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.16404563
Names & identifiers
- Preferred name
- 3-Propyl-1-[(pyridin-3-ylmethyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 3-propyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
Names & synonyms
612522-91-53-propyl-1-[(pyridin-3-ylmethyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile3-propyl-1-((pyridin-3-ylmethyl)amino)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile11-propyl-13-{[(pyridin-3-yl)methyl]amino}-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile3-propyl-1-[(3-pyridinylmethyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile3-propyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrileHMS1687F01STK101385AKOS000561538UPCMLD0ENAT5752246:001ST50056230AF-399/41980261
Show more names
SR-01000908703SR-01000908703-1Z57148985F1405-01562-propyl-4-[(3-pyridylmethyl)amino]-5-hydropyridino[1,2-a]benzimidazolecarboni trile3-propyl-1-{[(pyridin-3-yl)methyl]amino}pyrido[1,2-a]benzimidazole-4-carbonitrile
Database identifiers
- CAS
612522-91-5- PubChem CID
- 830175
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 514
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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