4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one

C22H17N5O2 — CID 139531359

IUPAC4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one
SMILESO=C1N(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)CCN1c1cccnc1
InChIInChI=1S/C22H17N5O2/c28-21-19-6-2-1-5-18(19)20(24-25-21)15-7-9-16(10-8-15)26-12-13-27(22(26)29)17-4-3-11-23-14-17/h1-11,14H,12-13H2,(H,25,28)
InChIKeyDRMNJKORTHCIDQ-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.43
Rot. Bonds3

About 4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one

4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one (PubChem CID 139531359) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one
PubChem CID139531359
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one
SMILESO=C1N(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)CCN1c1cccnc1
InChIInChI=1S/C22H17N5O2/c28-21-19-6-2-1-5-18(19)20(24-25-21)15-7-9-16(10-8-15)26-12-13-27(22(26)29)17-4-3-11-23-14-17/h1-11,14H,12-13H2,(H,25,28)
InChIKeyDRMNJKORTHCIDQ-UHFFFAOYSA-N
XLogP3.43
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one (CID 139531359) is 4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one is O=C1N(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)CCN1c1cccnc1.
What is the InChIKey of 4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one?
The InChIKey is DRMNJKORTHCIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c28-21-19-6-2-1-5-18(19)20(24-25-21)15-7-9-16(10-8-15)26-12-13-27(22(26)29)17-4-3-11-23-14-17/h1-11,14H,12-13H2,(H,25,28).
What are the key properties of 4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one?
4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one has a molecular weight of 383.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one is sourced from PubChem (CID 139531359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).