Basic information
- CAS
51493-19-7- Standard SMILES
O=C(CCn1c(CN2CCN(CC=Cc3ccccc3)CC2)nc2ccccc21)c1ccccc1- InChIKey
VIAYOUBFHWUVLW-UHFFFAOYSA-N- Molecular formula
- C30H32N4O
- Average molar mass
- 464.6 g/mol
- Monoisotopic mass
- 464.25761166
Names & identifiers
- Preferred name
- Cinprazole
- IUPAC
- 1-phenyl-3-[2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
- English name
- cinprazole
- Molecular formula
- C30H32N4O
- Molecular weight
- 464.6
Names & synonyms
CinprazoleCinprazol51493-19-7Cinprazole [INN]601OJW5ILI1-phenyl-3-[2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one3-(2-((4-Cinnamyl-1-piperazinyl)methyl)benzimidazol-1-yl)propiophenoneCinprazolumCinprazol [INN-Spanish]Cinprazolum [INN-Latin]UNII-601OJW5ILIEINECS 257-239-0
Show more names
β-[2-[4-(3-Phenyl-2-propenyl)-1-piperazinyl]methyl-1H-benzimidazol-1-yl]propiophenone1-Propanone, 1-phenyl-3-[2-[[4-(3-phenyl-2-propen-1-yl)-1-piperazinyl]methyl]-1H-benzimidazol-1-yl]-
SCHEMBL142975DTXSID80866202VIAYOUBFHWUVLW-UHFFFAOYSA-NFC176234NS00089172Q272631371-Phenyl-3-(2-{[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]methyl}-1H-1,3-benzimidazol-1-yl)propan-1-one
Database identifiers
- CAS
51493-19-7- PubChem CID
- 68685
- DTXSID
DTXSID80866202- ChEMBL
CHEMBL2104049
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 41.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 676
Physicochemical properties
- Boiling point
- 672.3 · 672.3±55.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 7.03 · 7.03±0.10(Predicted)
- FDA UNII
- 601 OJW5ILI · 601OJW5ILI
Chemistry & industry
Suppliers2 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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