1-(Cyclopentylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
Basic information
- CAS
612522-93-7- Standard SMILES
CCCc1cc(NC2CCCC2)n2c(nc3ccccc32)c1C#N- InChIKey
CDOJAVIKJSMQMX-UHFFFAOYSA-N- Molecular formula
- C20H22N4
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.18444672
Names & identifiers
- Preferred name
- 1-(Cyclopentylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 1-(cyclopentylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 1-(cyclopentylamino)-3-propylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
- Molecular formula
- C20H22N4
- Molecular weight
- 318.42
Names & synonyms
612522-93-71-(cyclopentylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile1-(cyclopentylamino)-3-propylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile13-(cyclopentylamino)-11-propyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrileSTK101604AKOS002170393ST50056232AF-399/41980263F1405-01584-(cyclopentylamino)-2-propyl-5-hydropyridino[1,2-a]benzimidazolecarbonitrilePyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(cyclopentylamino)-3-propyl-
Database identifiers
- CAS
612522-93-7- PubChem CID
- 830178
- EC Number
- 124-452-4
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 477
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
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