1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Basic information
- CAS
121105-78-0- Standard SMILES
Cc1cc(Cl)n2c(nc3ccccc32)c1C#N- InChIKey
AKFXQYMORAUSBD-UHFFFAOYSA-N- Molecular formula
- C13H8ClN3
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.040675
Names & identifiers
- Preferred name
- 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 1-CHLORO-3-METHYL-BENZO[4,5]IMIDAZO[1,2-A]PYRIDINE-4-CARBONITRILE
- Molecular formula
- C13H8ClN3
- Molecular weight
- 241.68
Names & synonyms
121105-78-01-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrileDTXSID303267051-Chloro-3-methylpyrido(1,2-a)benzimidazole-4-carbonitrileRefChem:229389DTXCID202778181-chloro-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile1-Chloro-3-methyl-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrileMFCD00649385MLS000708330SMR0002877971-chloro-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile
Show more names
1-Chloro-3-methylpyrido1,2-abenzodimidazol-4-carbonitrilePyrido[1,2-a]benziMidazole-4-carbonitrile,1-chloro-3-Methyl-1-Chloro-3-methylbenzo[4,5]imidazo[1,2-a]pyridin-4-carbonitrile
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-chloro-3-methyl-13-CHLORO-11-METHYL-1,8-DIAZATRICYCLO[7.4.0.0(2),?]TRIDECA-2(7),3,5,8,10,12-HEXAENE-10-CARBONITRILE4-chloro-2-methyl-5-hydropyridino[1,2-a]benzimidazolecarbonitrile1-CHLORO-3-METHYL-BENZO(4,5)IMIDAZO(1,2-A)PYRIDINE-4-CARBONITRILENSC610507Oprea1_006254Oprea1_398722cid_355876
Database identifiers
- CAS
121105-78-0- PubChem CID
- 355876
- DTXSID
DTXSID30326705- ChEMBL
CHEMBL1348803- EC Number
- 979-016-3
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 350
Experimental & physicochemical properties
Solubility15.3 [ug/mL] (The mean of the results at pH 7.4)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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. 4 (100%)
Related reactions
1 records
Compound notes
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