5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C20H22F3N3O4 — CID 60617657

IUPAC5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C2(C)NC(=O)N(CC(=O)c3cc(C)n(CC(F)(F)F)c3C)C2=O)c(C)o1
InChIInChI=1S/C20H22F3N3O4/c1-10-6-14(12(3)26(10)9-20(21,22)23)16(27)8-25-17(28)19(5,24-18(25)29)15-7-11(2)30-13(15)4/h6-7H,8-9H2,1-5H3,(H,24,29)
InChIKeyUEYFHXAFQXTJHP-UHFFFAOYSA-N
MW425.41 g/mol
LogP3.53
Rot. Bonds5

About 5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 60617657) has the molecular formula C20H22F3N3O4 and a molecular weight of 425.41 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID60617657
Molecular FormulaC20H22F3N3O4
Molecular Weight425.41 g/mol
Exact Mass425.16
IUPAC Name5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C2(C)NC(=O)N(CC(=O)c3cc(C)n(CC(F)(F)F)c3C)C2=O)c(C)o1
InChIInChI=1S/C20H22F3N3O4/c1-10-6-14(12(3)26(10)9-20(21,22)23)16(27)8-25-17(28)19(5,24-18(25)29)15-7-11(2)30-13(15)4/h6-7H,8-9H2,1-5H3,(H,24,29)
InChIKeyUEYFHXAFQXTJHP-UHFFFAOYSA-N
XLogP3.53
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 53.53
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 5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 60617657) is 5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C2(C)NC(=O)N(CC(=O)c3cc(C)n(CC(F)(F)F)c3C)C2=O)c(C)o1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is UEYFHXAFQXTJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4/c1-10-6-14(12(3)26(10)9-20(21,22)23)16(27)8-25-17(28)19(5,24-18(25)29)15-7-11(2)30-13(15)4/h6-7H,8-9H2,1-5H3,(H,24,29).
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 425.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 60617657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).