Basic information
- CAS
611197-29-6- Standard SMILES
CCCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O- InChIKey
MPBQHYPNCVZYKG-UHFFFAOYSA-N- Molecular formula
- C18H19N3O
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.15281224
Names & identifiers
- Preferred name
- 3-Methyl-1-oxo-2-pentyl-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 3-methyl-1-oxo-2-pentyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Names & synonyms
611197-29-63-methyl-1-oxo-2-pentyl-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile3-Methyl-1-oxo-2-pentyl-1,5-dihydro-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrileF1405-02403-methyl-1-oxo-2-pentyl-5,10-dihydropyridino[1,2-a]benzimidazole-4-carbonitril e3-methyl-1-oxo-2-pentyl-1,5-dihydrobenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrileSMSSF-05323443-methyl-1-oxo-2-pentyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrileSBB081422STK105074STK842187AKOS000276320
Show more names
AKOS005625439UPCMLD0ENAT5747960:001ST50053208UNM000000669401AB00674282-01Z573899261-hydroxy-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile2-methyl-4-oxo-3-pentyl-4a,9-diaza-4,9-dihydro-1-fluorenecarbonitrile
Database identifiers
- CAS
611197-29-6- PubChem CID
- 2133307
- EC Number
- 164-110-1
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 593
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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