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

C23H18N4O2 — CID 139531418

IUPAC4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one
SMILESO=C1N(c2ccccc2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18N4O2/c28-22-20-9-5-4-8-19(20)21(24-25-22)16-10-12-18(13-11-16)27-15-14-26(23(27)29)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,28)
InChIKeyDOLYBFURUMOFFO-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.04
Rot. Bonds3

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

4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one (PubChem CID 139531418) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one
PubChem CID139531418
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one
SMILESO=C1N(c2ccccc2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18N4O2/c28-22-20-9-5-4-8-19(20)21(24-25-22)16-10-12-18(13-11-16)27-15-14-26(23(27)29)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,28)
InChIKeyDOLYBFURUMOFFO-UHFFFAOYSA-N
XLogP4.04
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 168272772
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CID 2945545
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CID 25133279
CID 25133279
CID 25133280
CID 25133280
CID 145955549
CID 145955549
CID 145960349
CID 145960349
CID 145962718
CID 145962718
CID 145972651
CID 145972651
CID 168278040
CID 168278040
CID 2714733
CID 2714733
CID 9585520
CID 9585520
CID 1306519
CID 1306519

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one (CID 139531418) is 4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one is O=C1N(c2ccccc2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one?
The InChIKey is DOLYBFURUMOFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-22-20-9-5-4-8-19(20)21(24-25-22)16-10-12-18(13-11-16)27-15-14-26(23(27)29)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,28).
What are the key properties of 4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one?
4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one has a molecular weight of 382.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one is sourced from PubChem (CID 139531418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).