2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C21H20F3N3O5 — CID 2108700

IUPAC2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)NCC(F)(F)F)C2=O)cc1
InChIInChI=1S/C21H20F3N3O5/c1-31-15-7-3-13(4-8-15)21(14-5-9-16(32-2)10-6-14)18(29)27(19(30)26-21)11-17(28)25-12-20(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyULDPJHDXHVGRLN-UHFFFAOYSA-N
MW451.40 g/mol
LogP2.18
Rot. Bonds7

About 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2108700) has the molecular formula C21H20F3N3O5 and a molecular weight of 451.40 g/mol. Its IUPAC name is 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2108700
Molecular FormulaC21H20F3N3O5
Molecular Weight451.40 g/mol
Exact Mass451.14
IUPAC Name2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)NCC(F)(F)F)C2=O)cc1
InChIInChI=1S/C21H20F3N3O5/c1-31-15-7-3-13(4-8-15)21(14-5-9-16(32-2)10-6-14)18(29)27(19(30)26-21)11-17(28)25-12-20(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyULDPJHDXHVGRLN-UHFFFAOYSA-N
XLogP2.18
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
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-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 2108700) is 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)NCC(F)(F)F)C2=O)cc1.
What is the InChIKey of 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ULDPJHDXHVGRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O5/c1-31-15-7-3-13(4-8-15)21(14-5-9-16(32-2)10-6-14)18(29)27(19(30)26-21)11-17(28)25-12-20(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 451.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2108700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).