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

C19H17F3N4O4 — CID 71090177

IUPAC(5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCC[C@H]1NC(=O)N(c2cnc(Oc3ccc4c(c3)C(C)(C(F)(F)F)OC4)nc2)C1=O
InChIInChI=1S/C19H17F3N4O4/c1-3-14-15(27)26(17(28)25-14)11-7-23-16(24-8-11)30-12-5-4-10-9-29-18(2,13(10)6-12)19(20,21)22/h4-8,14H,3,9H2,1-2H3,(H,25,28)/t14-,18?/m1/s1
InChIKeySKXPEZRPXUSJHY-IKJXHCRLSA-N
MW422.36 g/mol
LogP3.41
Rot. Bonds4

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

(5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione (PubChem CID 71090177) has the molecular formula C19H17F3N4O4 and a molecular weight of 422.36 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione
PubChem CID71090177
Molecular FormulaC19H17F3N4O4
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC Name(5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCC[C@H]1NC(=O)N(c2cnc(Oc3ccc4c(c3)C(C)(C(F)(F)F)OC4)nc2)C1=O
InChIInChI=1S/C19H17F3N4O4/c1-3-14-15(27)26(17(28)25-14)11-7-23-16(24-8-11)30-12-5-4-10-9-29-18(2,13(10)6-12)19(20,21)22/h4-8,14H,3,9H2,1-2H3,(H,25,28)/t14-,18?/m1/s1
InChIKeySKXPEZRPXUSJHY-IKJXHCRLSA-N
XLogP3.41
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.41
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 (5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione (CID 71090177) is (5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione is CC[C@H]1NC(=O)N(c2cnc(Oc3ccc4c(c3)C(C)(C(F)(F)F)OC4)nc2)C1=O.
What is the InChIKey of (5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The InChIKey is SKXPEZRPXUSJHY-IKJXHCRLSA-N. The full InChI is InChI=1S/C19H17F3N4O4/c1-3-14-15(27)26(17(28)25-14)11-7-23-16(24-8-11)30-12-5-4-10-9-29-18(2,13(10)6-12)19(20,21)22/h4-8,14H,3,9H2,1-2H3,(H,25,28)/t14-,18?/m1/s1.
What are the key properties of (5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
(5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione has a molecular weight of 422.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 71090177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).