6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one

C21H16F2N4O — CID 24830764

IUPAC6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one
SMILESCc1cnc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)[nH]1
InChIInChI=1S/C21H16F2N4O/c1-13-11-24-21(25-13)15-4-2-3-14(7-15)12-27-20(28)6-5-19(26-27)16-8-17(22)10-18(23)9-16/h2-11H,12H2,1H3,(H,24,25)
InChIKeyBQDBPVWRXKKLEM-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.94
Rot. Bonds4

About 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one

6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one (PubChem CID 24830764) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one
PubChem CID24830764
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC Name6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one
SMILESCc1cnc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)[nH]1
InChIInChI=1S/C21H16F2N4O/c1-13-11-24-21(25-13)15-4-2-3-14(7-15)12-27-20(28)6-5-19(26-27)16-8-17(22)10-18(23)9-16/h2-11H,12H2,1H3,(H,24,25)
InChIKeyBQDBPVWRXKKLEM-UHFFFAOYSA-N
XLogP3.94
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one (CID 24830764) is 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one is Cc1cnc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)[nH]1.
What is the InChIKey of 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one?
The InChIKey is BQDBPVWRXKKLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O/c1-13-11-24-21(25-13)15-4-2-3-14(7-15)12-27-20(28)6-5-19(26-27)16-8-17(22)10-18(23)9-16/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one?
6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one has a molecular weight of 378.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 24830764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).