11-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
Basic information
- CAS
305335-00-6- Standard SMILES
CC1CCN(c2c3c(c(C#N)c4nc5ccccc5n24)CCC3)CC1- InChIKey
WWFHXFCYVAZNSH-UHFFFAOYSA-N- Molecular formula
- C21H22N4
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.18444672
Names & identifiers
- Preferred name
- 11-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 16-(4-methylpiperidin-1-yl)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Names & synonyms
ZINC44560111-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile11-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrileZINC00445601Oprea1_327956Oprea1_653765SCHEMBL14728215SMSF0009124MFCD01829408STK102966AKOS003073931CB00505
Show more names
305335-00-6ZINC000000445601CC1CCN(CC1)C2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N11(4methylpiperidin1yl)23dihydro1Hbenzo(45)imidazo(12a)cyclopenta(d)pyridine4carbonitrile11(4METHYLPIPERIDIN1YL)23DIHYDRO1HCYCLOPENTA(45)PYRIDO(12A)BENZIMIDAZOLE4CARBONITRILE11-(4-methyl-1-piperidinyl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
Database identifiers
- CAS
305335-00-6- PubChem CID
- 876840
- EC Number
- 164-103-3
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 545
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, 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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