2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C27H27N3O6 — CID 27926089

IUPAC2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C27H27N3O6/c1-34-21-14-18(15-22(35-2)24(21)36-3)16-28-23(31)17-30-25(32)27(29-26(30)33,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,16-17H2,1-3H3,(H,28,31)(H,29,33)
InChIKeyWIABGRDVOBDKBC-UHFFFAOYSA-N
MW489.53 g/mol
LogP2.82
Rot. Bonds9

About 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 27926089) has the molecular formula C27H27N3O6 and a molecular weight of 489.53 g/mol. Its IUPAC name is 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID27926089
Molecular FormulaC27H27N3O6
Molecular Weight489.53 g/mol
Exact Mass489.19
IUPAC Name2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C27H27N3O6/c1-34-21-14-18(15-22(35-2)24(21)36-3)16-28-23(31)17-30-25(32)27(29-26(30)33,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,16-17H2,1-3H3,(H,28,31)(H,29,33)
InChIKeyWIABGRDVOBDKBC-UHFFFAOYSA-N
XLogP2.82
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 27926089) is 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc(OC)c1OC.
What is the InChIKey of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is WIABGRDVOBDKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O6/c1-34-21-14-18(15-22(35-2)24(21)36-3)16-28-23(31)17-30-25(32)27(29-26(30)33,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,16-17H2,1-3H3,(H,28,31)(H,29,33).
What are the key properties of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 489.53 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 27926089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).