Meribendan
Basic information
- CAS
119322-27-9- Standard SMILES
CC1CC(=O)NN=C1c1ccc2nc(-c3ccn[nH]3)[nH]c2c1- InChIKey
FDWDHUONLKCDBV-UHFFFAOYSA-N- Molecular formula
- C15H14N6O
- Average molar mass
- 294.31 g/mol
- Monoisotopic mass
- 294.12290909
Names & identifiers
- Preferred name
- Meribendan
- IUPAC
- 4-methyl-3-[2-(1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
- English name
- Meribendan
- Molecular formula
- C15H14N6O
- Molecular weight
- 294.31
Names & synonyms
MeribendanMeribendanum119322-27-94WYD7I9GF44,5-Dihydro-5-methyl-6-(2-pyrazol-3-yl-5-benzimidazolyl)-3(2H)-pyridazinoneRefChem:156605Meribendan [INN]4-methyl-3-[2-(1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-oneMeribendanum [INN-Latin]UNII-4WYD7I9GF4Meribendan - API StandardsCHEMBL85074
Show more names
3(2H)-Pyridazinone, 4,5-dihydro-5-methyl-6-[2-(1H-pyrazol-3-yl)-1H-benzimidazol-6-yl]-
SCHEMBL892301orb2564504SCHEMBL5952474SCHEMBL9781483SCHEMBL24116873DTXSID901350813BDBM50469699HY-106474
Database identifiers
- CAS
119322-27-9- PubChem CID
- 65934
- DTXSID
DTXSID901350813- ChEMBL
CHEMBL85074- UNII
- 4WYD7I9GF4
- Nikkaji
- J549.337D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- pka
- 9.89 · 9.89±0.10(Predicted)
- FDA UNII
- 4 WYD7I9GF4 · 4WYD7I9GF4
Chemistry & industry
Applications
UsesMeribendan is a phosphodiesterase (PDE)-III inhibitor[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…