4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one

C24H20N4O2 — CID 139531393

IUPAC4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one
SMILESO=C1N(Cc2ccccc2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C24H20N4O2/c29-23-21-9-5-4-8-20(21)22(25-26-23)18-10-12-19(13-11-18)28-15-14-27(24(28)30)16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,29)
InChIKeyGPQMTMACUICRFG-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.03
Rot. Bonds4

About 4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one

4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one (PubChem CID 139531393) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one
PubChem CID139531393
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one
SMILESO=C1N(Cc2ccccc2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C24H20N4O2/c29-23-21-9-5-4-8-20(21)22(25-26-23)18-10-12-19(13-11-18)28-15-14-27(24(28)30)16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,29)
InChIKeyGPQMTMACUICRFG-UHFFFAOYSA-N
XLogP4.03
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one (CID 139531393) is 4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one is O=C1N(Cc2ccccc2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one?
The InChIKey is GPQMTMACUICRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-23-21-9-5-4-8-20(21)22(25-26-23)18-10-12-19(13-11-18)28-15-14-27(24(28)30)16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,29).
What are the key properties of 4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one?
4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one has a molecular weight of 396.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one is sourced from PubChem (CID 139531393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).