(5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione

C20H18F3N3O4 — CID 141458199

IUPAC(5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)[C@H](C(F)(F)F)OC4)nc2)C1=O
InChIInChI=1S/C20H18F3N3O4/c1-3-19(2)17(27)26(18(28)25-19)12-5-7-15(24-9-12)30-13-6-4-11-10-29-16(14(11)8-13)20(21,22)23/h4-9,16H,3,10H2,1-2H3,(H,25,28)/t16-,19-/m1/s1
InChIKeySNKUAWZFNNOCOP-VQIMIIECSA-N
MW421.38 g/mol
LogP4.23
Rot. Bonds4

About (5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione

(5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 141458199) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is (5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID141458199
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name(5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)[C@H](C(F)(F)F)OC4)nc2)C1=O
InChIInChI=1S/C20H18F3N3O4/c1-3-19(2)17(27)26(18(28)25-19)12-5-7-15(24-9-12)30-13-6-4-11-10-29-16(14(11)8-13)20(21,22)23/h4-9,16H,3,10H2,1-2H3,(H,25,28)/t16-,19-/m1/s1
InChIKeySNKUAWZFNNOCOP-VQIMIIECSA-N
XLogP4.23
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 54.23
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 (5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione (CID 141458199) is (5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)[C@H](C(F)(F)F)OC4)nc2)C1=O.
What is the InChIKey of (5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is SNKUAWZFNNOCOP-VQIMIIECSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c1-3-19(2)17(27)26(18(28)25-19)12-5-7-15(24-9-12)30-13-6-4-11-10-29-16(14(11)8-13)20(21,22)23/h4-9,16H,3,10H2,1-2H3,(H,25,28)/t16-,19-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
(5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 421.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-methyl-3-[6-[[(3R)-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 141458199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).