3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione

C43H46N6O8 — CID 90024201

IUPAC3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)C(C(C)(C)C)OC4)nc2)C1=O.CC[C@H]1NC(=O)N(c2ccc(Oc3ccc4c(c3)C3(CCC3)OC4)nc2)C1=O
InChIInChI=1S/C22H25N3O4.C21H21N3O4/c1-21(2,3)18-16-10-15(8-6-13(16)12-28-18)29-17-9-7-14(11-23-17)25-19(26)22(4,5)24-20(25)27;1-2-17-19(25)24(20(26)23-17)14-5-7-18(22-11-14)28-15-6-4-13-12-27-21(8-3-9-21)16(13)10-15/h6-11,18H,12H2,1-5H3,(H,24,27);4-7,10-11,17H,2-3,8-9,12H2,1H3,(H,23,26)/t;17-/m.1/s1
InChIKeyFWLQHIBJQZEMPW-HRWXGAKPSA-N
MW774.88 g/mol
LogP7.94
Rot. Bonds7

About 3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione

3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione (PubChem CID 90024201) has the molecular formula C43H46N6O8 and a molecular weight of 774.88 g/mol. Its IUPAC name is 3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione
PubChem CID90024201
Molecular FormulaC43H46N6O8
Molecular Weight774.88 g/mol
Exact Mass774.34
IUPAC Name3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)C(C(C)(C)C)OC4)nc2)C1=O.CC[C@H]1NC(=O)N(c2ccc(Oc3ccc4c(c3)C3(CCC3)OC4)nc2)C1=O
InChIInChI=1S/C22H25N3O4.C21H21N3O4/c1-21(2,3)18-16-10-15(8-6-13(16)12-28-18)29-17-9-7-14(11-23-17)25-19(26)22(4,5)24-20(25)27;1-2-17-19(25)24(20(26)23-17)14-5-7-18(22-11-14)28-15-6-4-13-12-27-21(8-3-9-21)16(13)10-15/h6-11,18H,12H2,1-5H3,(H,24,27);4-7,10-11,17H,2-3,8-9,12H2,1H3,(H,23,26)/t;17-/m.1/s1
InChIKeyFWLQHIBJQZEMPW-HRWXGAKPSA-N
XLogP7.94
TPSA161.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.88
LogP ≤ 57.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione (CID 90024201) is 3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione is CC1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)C(C(C)(C)C)OC4)nc2)C1=O.CC[C@H]1NC(=O)N(c2ccc(Oc3ccc4c(c3)C3(CCC3)OC4)nc2)C1=O.
What is the InChIKey of 3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione?
The InChIKey is FWLQHIBJQZEMPW-HRWXGAKPSA-N. The full InChI is InChI=1S/C22H25N3O4.C21H21N3O4/c1-21(2,3)18-16-10-15(8-6-13(16)12-28-18)29-17-9-7-14(11-23-17)25-19(26)22(4,5)24-20(25)27;1-2-17-19(25)24(20(26)23-17)14-5-7-18(22-11-14)28-15-6-4-13-12-27-21(8-3-9-21)16(13)10-15/h6-11,18H,12H2,1-5H3,(H,24,27);4-7,10-11,17H,2-3,8-9,12H2,1H3,(H,23,26)/t;17-/m.1/s1.
What are the key properties of 3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione?
3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione has a molecular weight of 774.88 g/mol, XLogP of 7.94, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione is sourced from PubChem (CID 90024201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).