1-(4-Chloroanilino)-7,8-dimethyl-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
Basic information
- Standard SMILES
Cc1cc2nc3c(C#N)c(-c4ccccc4)cc(Nc4ccc(Cl)cc4)n3c2cc1C- InChIKey
FMROIAUBQROLMQ-UHFFFAOYSA-N- Molecular formula
- C26H19ClN4
- Average molar mass
- 422.9 g/mol
- Monoisotopic mass
- 422.1298243
Names & identifiers
- Preferred name
- 1-(4-Chloroanilino)-7,8-dimethyl-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 1-(4-chloroanilino)-7,8-dimethyl-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
Names & synonyms
NSC699949CHEMBL2002321NSC-699949NCI60_035842
Database identifiers
- PubChem CID
- 395413
- ChEMBL
CHEMBL2002321- Nikkaji
- J1.294.094G
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 662
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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