2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

C25H24N4O4 — CID 2962731

IUPAC2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2Cc2ccccn2)cc1
InChIInChI=1S/C25H24N4O4/c1-2-33-21-13-11-18(12-14-21)27-23(30)16-22-24(31)29(20-9-4-3-5-10-20)25(32)28(22)17-19-8-6-7-15-26-19/h3-15,22H,2,16-17H2,1H3,(H,27,30)
InChIKeyVMDLLGKOOSMPNK-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.85
Rot. Bonds8

About 2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 2962731) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID2962731
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2Cc2ccccn2)cc1
InChIInChI=1S/C25H24N4O4/c1-2-33-21-13-11-18(12-14-21)27-23(30)16-22-24(31)29(20-9-4-3-5-10-20)25(32)28(22)17-19-8-6-7-15-26-19/h3-15,22H,2,16-17H2,1H3,(H,27,30)
InChIKeyVMDLLGKOOSMPNK-UHFFFAOYSA-N
XLogP3.85
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide (CID 2962731) is 2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2Cc2ccccn2)cc1.
What is the InChIKey of 2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is VMDLLGKOOSMPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-2-33-21-13-11-18(12-14-21)27-23(30)16-22-24(31)29(20-9-4-3-5-10-20)25(32)28(22)17-19-8-6-7-15-26-19/h3-15,22H,2,16-17H2,1H3,(H,27,30).
What are the key properties of 2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 444.49 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-1-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 2962731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).