2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide

C26H20N4O5 — CID 55342530

IUPAC2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)C1=O
InChIInChI=1S/C26H20N4O5/c1-26(18-10-6-3-7-11-18)24(34)30(25(35)27-26)28-21(31)17-12-13-19-20(14-17)23(33)29(22(19)32)15-16-8-4-2-5-9-16/h2-14H,15H2,1H3,(H,27,35)(H,28,31)
InChIKeyNROHUHJFCQJNMO-UHFFFAOYSA-N
MW468.47 g/mol
LogP2.59
Rot. Bonds5

About 2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide

2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55342530) has the molecular formula C26H20N4O5 and a molecular weight of 468.47 g/mol. Its IUPAC name is 2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID55342530
Molecular FormulaC26H20N4O5
Molecular Weight468.47 g/mol
Exact Mass468.14
IUPAC Name2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)C1=O
InChIInChI=1S/C26H20N4O5/c1-26(18-10-6-3-7-11-18)24(34)30(25(35)27-26)28-21(31)17-12-13-19-20(14-17)23(33)29(22(19)32)15-16-8-4-2-5-9-16/h2-14H,15H2,1H3,(H,27,35)(H,28,31)
InChIKeyNROHUHJFCQJNMO-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 2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide (CID 55342530) is 2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide is CC1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)C1=O.
What is the InChIKey of 2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is NROHUHJFCQJNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O5/c1-26(18-10-6-3-7-11-18)24(34)30(25(35)27-26)28-21(31)17-12-13-19-20(14-17)23(33)29(22(19)32)15-16-8-4-2-5-9-16/h2-14H,15H2,1H3,(H,27,35)(H,28,31).
What are the key properties of 2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide?
2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide 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 2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55342530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).