4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide

C26H20N4O5 — CID 55542313

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)C1=O
InChIInChI=1S/C26H20N4O5/c1-26(18-7-3-2-4-8-18)24(34)30(25(35)27-26)28-21(31)17-13-11-16(12-14-17)15-29-22(32)19-9-5-6-10-20(19)23(29)33/h2-14H,15H2,1H3,(H,27,35)(H,28,31)
InChIKeyFYWLHVDGTRILDC-UHFFFAOYSA-N
MW468.47 g/mol
LogP2.59
Rot. Bonds5

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide (PubChem CID 55542313) has the molecular formula C26H20N4O5 and a molecular weight of 468.47 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
PubChem CID55542313
Molecular FormulaC26H20N4O5
Molecular Weight468.47 g/mol
Exact Mass468.14
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)C1=O
InChIInChI=1S/C26H20N4O5/c1-26(18-7-3-2-4-8-18)24(34)30(25(35)27-26)28-21(31)17-13-11-16(12-14-17)15-29-22(32)19-9-5-6-10-20(19)23(29)33/h2-14H,15H2,1H3,(H,27,35)(H,28,31)
InChIKeyFYWLHVDGTRILDC-UHFFFAOYSA-N
XLogP2.59
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide (CID 55542313) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide is CC1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)C1=O.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
The InChIKey is FYWLHVDGTRILDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O5/c1-26(18-7-3-2-4-8-18)24(34)30(25(35)27-26)28-21(31)17-13-11-16(12-14-17)15-29-22(32)19-9-5-6-10-20(19)23(29)33/h2-14H,15H2,1H3,(H,27,35)(H,28,31).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide has a molecular weight of 468.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide is sourced from PubChem (CID 55542313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).