Basic information
- CAS
305333-73-7- Standard SMILES
Cc1cc(Nc2ccc(O)cc2)n2c(nc3ccccc32)c1C#N- InChIKey
JITAMEWVJZCLBO-UHFFFAOYSA-N- Molecular formula
- C19H14N4O
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.11676108
Names & identifiers
- Preferred name
- 1-(4-Hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 1-((4-hydroxyphenyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
- Molecular formula
- C19H14N4O
- Molecular weight
- 314.34
Names & synonyms
305333-73-71-(4-Hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile1-((4-hydroxyphenyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile13-[(4-hydroxyphenyl)amino]-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile1-(4-HYDROXYANILINO)-3-METHYLPYRIDO(1,2-A)BENZIMIDAZOLE-4-CARBONITRILEOprea1_176478Oprea1_343275MLS000715254CHEMBL1570101SCHEMBL14478944JITAMEWVJZCLBO-UHFFFAOYSA-NDTXSID101333354
Show more names
1-[(4-hydroxyphenyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrilePyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[(4-hydroxyphenyl)amino]-3-methyl-
HMS1584D21HMS2725N09SMSF0008334STK104818AKOS000545781CB00441SMR000275233ST50053020
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 495
Experimental & physicochemical properties
Solubility0.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 10.11 · 10.11±0.26(Predicted)
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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