3-Methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
Basic information
- CAS
453578-71-7- Standard SMILES
Cc1cc(NCc2cccnc2)n2c(nc3ccccc32)c1C#N- InChIKey
HGKNQTQOECYRNA-UHFFFAOYSA-N- Molecular formula
- C19H15N5
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.1327455
Names & identifiers
- Preferred name
- 3-Methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
Names & synonyms
BAS 08138772Oprea1_603713Oprea1_766756IFLab1_005836HMS1428J06STK1057203-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrileAKOS0005617873-methyl-1-[(pyridin-3-ylmethyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrileIDI1_011239453578-71-7AB00686074-01
Show more names
Z574780473-methyl-1-((pyridin-3-ylmethyl)amino)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile3-methyl-1-[(3-pyridinylmethyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile3-methyl-1-{[(pyridin-3-yl)methyl]amino}pyrido[1,2-a]benzimidazole-4-carbonitrile
Database identifiers
- CAS
453578-71-7- PubChem CID
- 854445
- EC Number
- 164-085-7
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 485
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…