Basic information
- CAS
294850-10-5- Standard SMILES
Cc1cc(NCc2ccco2)n2c(nc3ccccc32)c1C#N- InChIKey
UZZDOZFJXVHURU-UHFFFAOYSA-N- Molecular formula
- C18H14N4O
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.11676108
Names & identifiers
- Preferred name
- 1-(Furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- Molecular formula
- C18H14N4O
- Molecular weight
- 302.33
Names & synonyms
SMR000104555MLS000108601Oprea1_302281Oprea1_444041MLS003904876CHEMBL1544110HMS2186B05STK8429211-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrileAKOS000542757294850-10-5ST50562080
Show more names
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[(2-furanylmethyl)amino]-3-methyl-1-((FURAN-2-YLMETHYL)-AMINO)3-ME-BENZO(4,5)IMIDAZO(1,2-A)PYRIDINE-4-CARBONITRILE
AB00099211-01SR-01000395583SR-01000395583-11-[(2-furylmethyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile1-((furan-2-ylmethyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile1-[(furan-2-ylmethyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile4-[(2-furylmethyl)amino]-2-methyl-5-hydropyridino[1,2-a]benzimidazolecarbonitr ile
Database identifiers
- CAS
294850-10-5- PubChem CID
- 679754
- ChEMBL
CHEMBL1544110- EC Number
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 5.32 · 5.32±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
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%)
Chemistry & industry
Suppliers3 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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