3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C19H16N4O — CID 54477611

IUPAC3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(-c3cnc(-c4ccccc4)[nH]3)cc2)=NN1
InChIInChI=1S/C19H16N4O/c24-18-11-10-16(22-23-18)13-6-8-14(9-7-13)17-12-20-19(21-17)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,21)(H,23,24)
InChIKeyXMRUBVZNNXXYEB-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.36
Rot. Bonds3

About 3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 54477611) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID54477611
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(-c3cnc(-c4ccccc4)[nH]3)cc2)=NN1
InChIInChI=1S/C19H16N4O/c24-18-11-10-16(22-23-18)13-6-8-14(9-7-13)17-12-20-19(21-17)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,21)(H,23,24)
InChIKeyXMRUBVZNNXXYEB-UHFFFAOYSA-N
XLogP3.36
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 54477611) is 3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(-c3cnc(-c4ccccc4)[nH]3)cc2)=NN1.
What is the InChIKey of 3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XMRUBVZNNXXYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-18-11-10-16(22-23-18)13-6-8-14(9-7-13)17-12-20-19(21-17)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,21)(H,23,24).
What are the key properties of 3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 316.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 54477611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).