2-(2-Hydroxy-5-methylbenzoyl)pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile
Basic information
- CAS
190064-62-1- Standard SMILES
Cc1ccc(O)c(C(=O)c2cc(C#N)c3nc4ccccc4n3c2)c1- InChIKey
DMQIXLDNRATNBD-UHFFFAOYSA-N- Molecular formula
- C20H13N3O2
- Average molar mass
- 327.3 g/mol
Names & identifiers
- Preferred name
- 2-(2-Hydroxy-5-methylbenzoyl)pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile
- IUPAC
- 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 2-(2-Hydroxy-5-methylbenzoyl)pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile
- Molecular formula
- C20H13N3O2
- Molecular weight
- 327.34
Names & synonyms
190064-62-12-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile12-(2-hydroxy-5-methylbenzoyl)-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrileMLS000755133MFCD00975604SMR0003380082-(2-hydroxy-5-methyl-benzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrileOprea1_833103CHEMBL1332060BDBM54345cid_1484504
Show more names
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 2-(2-hydroxy-5-methylbenzoyl)-2-(2-hydroxy-5-methylbenzoyl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
HMS2640K18AKOS0051006417M-7522-(5-methyl-2-oxidanyl-phenyl)carbonylpyrido[1,2-a]benzimidazole-4-carbonitrile2-[(2-hydroxy-5-methylphenyl)-oxomethyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile
Database identifiers
- CAS
190064-62-1- ChEMBL
CHEMBL1332060
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 571
Physicochemical properties
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 6.53 · 6.53±0.43(Predicted)
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Compound notes
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