1-(3-Chloroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Basic information
- CAS
305333-77-1- Standard SMILES
Cc1cc(Nc2cccc(Cl)c2)n2c(nc3ccccc32)c1C#N- InChIKey
JIEHRLHVTUUATG-UHFFFAOYSA-N- Molecular formula
- C19H13ClN4
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.0828741
Names & identifiers
- Preferred name
- 1-(3-Chloroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 1-(3-chloroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 1-(3-chloroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- Molecular formula
- C19H13ClN4
- Molecular weight
- 332.79
Names & synonyms
1-(3-chloroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrileOprea1_453780Oprea1_679781SCHEMBL14478943SMSF0008950STK835974AKOS005624229CB00997305333-77-1ST505620781-((3-chlorophenyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile1-[(3-chlorophenyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Show more names
1-(3-CL-PHENYLAMINO)-3-METHYL-BENZO(4,5)IMIDAZO(1,2-A)PYRIDINE-4-CARBONITRILEPyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[(3-chlorophenyl)amino]-3-methyl-
4-[(3-chlorophenyl)amino]-2-methyl-5-hydropyridino[1,2-a]benzimidazolecarbonit rile
Database identifiers
- CAS
305333-77-1- PubChem CID
- 753549
- EC Number
- 164-088-3
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 4.79 · 4.79±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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…