Basic information
- CAS
500149-25-7- Standard SMILES
CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2c(C)ccc3ccccc23)CC1- InChIKey
KMUVMUGDCAXFHX-UHFFFAOYSA-N- Molecular formula
- C37H43N5
- Average molar mass
- 557.8 g/mol
- Monoisotopic mass
- 557.35184639
Names & identifiers
- Preferred name
- 3-Methyl-1-[4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl]-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 3-methyl-1-[4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl]-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 3-methyl-1-(4-((2-methylnaphthalen-1-yl)methyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
- Molecular formula
- C37H43N5
- Molecular weight
- 557.77
Names & synonyms
500149-25-711-methyl-13-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-12-octyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile3-METHYL-1-{4-[(2-METHYL-1-NAPHTHYL)METHYL]-1-PIPERAZINYL}-2-OCTYLPYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBONITRILEAKOS0030627083-methyl-1-(4-((2-methylnaphthalen-1-yl)methyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile3-methyl-1-[4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl]-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrileF1092-0489Pyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-[4-[(2-methyl-1-naphthalenyl)methyl]-1-piperazinyl]-2-octyl-
Database identifiers
- CAS
500149-25-7- PubChem CID
- 4459751
- EC Number
- 147-312-4
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 890
Physicochemical properties
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 7.65 · 7.65±0.50(Predicted)
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%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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