Basic information
- CAS
294850-34-3- Standard SMILES
CCN(CC)c1cc(C)c(C#N)c2nc3ccccc3n12- InChIKey
XONJKKJNPBFWFF-UHFFFAOYSA-N- Molecular formula
- C17H18N4
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.15314659
Overview
1-(diethylamino)-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile is a pyridobenzimidazole.
Names & identifiers
- Preferred name
- 1-(Diethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 1-(diethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 1-(diethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- Molecular formula
- C17H18N4
- Molecular weight
- 278.35
Names & synonyms
1-(diethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile294850-34-31-Diethylamino-3-methyl-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile1-DIETHYLAMINO-3-METHYL-BENZO(4,5)IMIDAZO(1,2-A)PYRIDINE-4-CARBONITRILECBMicro_035057Oprea1_351328Oprea1_610176MLS000768983CHEMBL1488485CHEBI:114717XONJKKJNPBFWFF-UHFFFAOYSA-NDTXSID101323515
Show more names
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(diethylamino)-3-methyl-
HMS2797E05Cl-2082STK842826AKOS002169839SMR000433717BIM-0034927.P001ST50562155AG-205/32416033
Database identifiers
- CAS
294850-34-3- PubChem CID
- 679573
- DTXSID
DTXSID101323515- ChEMBL
CHEMBL1488485- ChEBI
CHEBI:114717- EC Number
- 164-500-1
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 410
Experimental & physicochemical properties
Solubility2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 6.44 · 6.44±0.50(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Additional notes
DefinitionChEBI: 1-(diethylamino)-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile is a pyridobenzimidazole.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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