4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile

C19H15F3N4O4 — CID 53241210

IUPAC4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile
SMILESCC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc(C#N)c(OC(F)(F)F)c3)nc2)C1=O
InChIInChI=1S/C19H15F3N4O4/c1-3-18(2)16(27)26(17(28)25-18)12-5-7-15(24-10-12)29-13-6-4-11(9-23)14(8-13)30-19(20,21)22/h4-8,10H,3H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyBMGFTHHZPRDEAB-GOSISDBHSA-N
MW420.35 g/mol
LogP3.87
Rot. Bonds5

About 4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile

4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile (PubChem CID 53241210) has the molecular formula C19H15F3N4O4 and a molecular weight of 420.35 g/mol. Its IUPAC name is 4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile.

Molecular Properties

Compound Name4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile
PubChem CID53241210
Molecular FormulaC19H15F3N4O4
Molecular Weight420.35 g/mol
Exact Mass420.10
IUPAC Name4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile
SMILESCC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc(C#N)c(OC(F)(F)F)c3)nc2)C1=O
InChIInChI=1S/C19H15F3N4O4/c1-3-18(2)16(27)26(17(28)25-18)12-5-7-15(24-10-12)29-13-6-4-11(9-23)14(8-13)30-19(20,21)22/h4-8,10H,3H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyBMGFTHHZPRDEAB-GOSISDBHSA-N
XLogP3.87
TPSA104.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
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 4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile?
The IUPAC name of 4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile (CID 53241210) is 4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile.
What is the SMILES notation for 4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile?
The canonical SMILES for 4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile is CC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc(C#N)c(OC(F)(F)F)c3)nc2)C1=O.
What is the InChIKey of 4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile?
The InChIKey is BMGFTHHZPRDEAB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15F3N4O4/c1-3-18(2)16(27)26(17(28)25-18)12-5-7-15(24-10-12)29-13-6-4-11(9-23)14(8-13)30-19(20,21)22/h4-8,10H,3H2,1-2H3,(H,25,28)/t18-/m1/s1.
What are the key properties of 4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile?
4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile has a molecular weight of 420.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile is sourced from PubChem (CID 53241210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).