2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide

C26H22N4O4 — CID 176729740

IUPAC2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C(=O)/C=C/c3ccccn3)cc2)C1=O
InChIInChI=1S/C26H22N4O4/c1-26(19-7-3-2-4-8-19)24(33)30(25(34)29-26)17-23(32)28-21-12-10-18(11-13-21)22(31)15-14-20-9-5-6-16-27-20/h2-16H,17H2,1H3,(H,28,32)(H,29,34)/b15-14+
InChIKeyVUSLOXCSRXBXLC-CCEZHUSRSA-N
MW454.49 g/mol
LogP3.38
Rot. Bonds7

About 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide

2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide (PubChem CID 176729740) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide
PubChem CID176729740
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Name2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C(=O)/C=C/c3ccccn3)cc2)C1=O
InChIInChI=1S/C26H22N4O4/c1-26(19-7-3-2-4-8-19)24(33)30(25(34)29-26)17-23(32)28-21-12-10-18(11-13-21)22(31)15-14-20-9-5-6-16-27-20/h2-16H,17H2,1H3,(H,28,32)(H,29,34)/b15-14+
InChIKeyVUSLOXCSRXBXLC-CCEZHUSRSA-N
XLogP3.38
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide?
The IUPAC name of 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide (CID 176729740) is 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide is CC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C(=O)/C=C/c3ccccn3)cc2)C1=O.
What is the InChIKey of 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide?
The InChIKey is VUSLOXCSRXBXLC-CCEZHUSRSA-N. The full InChI is InChI=1S/C26H22N4O4/c1-26(19-7-3-2-4-8-19)24(33)30(25(34)29-26)17-23(32)28-21-12-10-18(11-13-21)22(31)15-14-20-9-5-6-16-27-20/h2-16H,17H2,1H3,(H,28,32)(H,29,34)/b15-14+.
What are the key properties of 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide?
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide has a molecular weight of 454.49 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 176729740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).