3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide

C19H15N5O4 — CID 32905584

IUPAC3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide
SMILESO=C1CN(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C(=O)N1
InChIInChI=1S/C19H15N5O4/c25-15-11-24(19(28)20-15)22-17(26)16-13-8-4-5-9-14(13)18(27)23(21-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,26)(H,20,25,28)
InChIKeyMGLXLQBRNAHAQB-UHFFFAOYSA-N
MW377.36 g/mol
LogP0.64
Rot. Bonds4

About 3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide

3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide (PubChem CID 32905584) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is 3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide
PubChem CID32905584
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC Name3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide
SMILESO=C1CN(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C(=O)N1
InChIInChI=1S/C19H15N5O4/c25-15-11-24(19(28)20-15)22-17(26)16-13-8-4-5-9-14(13)18(27)23(21-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,26)(H,20,25,28)
InChIKeyMGLXLQBRNAHAQB-UHFFFAOYSA-N
XLogP0.64
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 4797057
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CID 34328016
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
CID 39211839
3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide
CID 78881235
3-benzyl-N-(cycloheptylideneamino)-4-oxophthalazine-1-carboxamide
CID 4002441
3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide
CID 55951930
3-benzyl-4-oxo-N-pyridin-3-ylphthalazine-1-carboxamide
CID 26592291
3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide
CID 43064928
3-benzyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-oxophthalazine-1-carboxamide
CID 56577172
N-[1-(1-adamantyl)ethyl]-3-benzyl-4-oxophthalazine-1-carboxamide
CID 5030237
3-benzyl-4-oxo-N-[3-oxo-3-(propylamino)propyl]phthalazine-1-carboxamide
CID 55954463

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide (CID 32905584) is 3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide is O=C1CN(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C(=O)N1.
What is the InChIKey of 3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide?
The InChIKey is MGLXLQBRNAHAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c25-15-11-24(19(28)20-15)22-17(26)16-13-8-4-5-9-14(13)18(27)23(21-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,26)(H,20,25,28).
What are the key properties of 3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide?
3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide has a molecular weight of 377.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 32905584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).