1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione

C19H16N4O3 — CID 155564115

IUPAC1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)C1=O
InChIInChI=1S/C19H16N4O3/c1-22-11-17(24)23(19(22)26)13-6-4-5-12(9-13)10-16-14-7-2-3-8-15(14)18(25)21-20-16/h2-9H,10-11H2,1H3,(H,21,25)
InChIKeyOEQWTGLPTHYLKV-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.91
Rot. Bonds3

About 1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione

1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione (PubChem CID 155564115) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione
PubChem CID155564115
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)C1=O
InChIInChI=1S/C19H16N4O3/c1-22-11-17(24)23(19(22)26)13-6-4-5-12(9-13)10-16-14-7-2-3-8-15(14)18(25)21-20-16/h2-9H,10-11H2,1H3,(H,21,25)
InChIKeyOEQWTGLPTHYLKV-UHFFFAOYSA-N
XLogP1.91
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-(2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl)pyrrolidine-2,5-dione
CID 11725479
N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
4-({3-[(4-Phenylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133279
3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
CID 2714733
N'-[1-(4-aminophenyl)ethylidene]-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 9585520
3-(2-oxo-1-pyrrolidinyl)-N'-(1-phenylethylidene)benzohydrazide
CID 9590201
2-(4-Methyl-1-oxo-1H-phthalazin-2-yl)-N-o-tolyl-acetamide
CID 745849
N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 1306519
1-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione
CID 9840598
1-[2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-3-methylpyrrolidine-2,5-dione
CID 18444335
1-[2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-4-methylpiperazine-2,6-dione
CID 18444338
1-[3-(4-Oxo-3,4-dihydro-phthalazin-1-ylmethyl)-phenyl]-pyrrole-2,5-dione
CID 18444343

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione (CID 155564115) is 1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione is CN1CC(=O)N(c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)C1=O.
What is the InChIKey of 1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is OEQWTGLPTHYLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-22-11-17(24)23(19(22)26)13-6-4-5-12(9-13)10-16-14-7-2-3-8-15(14)18(25)21-20-16/h2-9H,10-11H2,1H3,(H,21,25).
What are the key properties of 1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione?
1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 348.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 155564115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).