(5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione

C23H25N3O4 — CID 71090096

IUPAC(5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)C3(CCCC3)OC4)nc2)C1=O
InChIInChI=1S/C23H25N3O4/c1-3-22(2)20(27)26(21(28)25-22)16-7-9-19(24-13-16)30-17-8-6-15-14-29-23(18(15)12-17)10-4-5-11-23/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyNJSFHPVYLAMHCN-JOCHJYFZSA-N
MW407.47 g/mol
LogP4.40
Rot. Bonds4

About (5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione

(5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione (PubChem CID 71090096) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione
PubChem CID71090096
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)C3(CCCC3)OC4)nc2)C1=O
InChIInChI=1S/C23H25N3O4/c1-3-22(2)20(27)26(21(28)25-22)16-7-9-19(24-13-16)30-17-8-6-15-14-29-23(18(15)12-17)10-4-5-11-23/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyNJSFHPVYLAMHCN-JOCHJYFZSA-N
XLogP4.40
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[6-[[(3R)-3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 141458184
3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 118945967
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
(5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 57411186
(5R)-5-ethyl-5-methyl-3-[5-methyl-6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
CID 71090336
(5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 57411183
(5R)-5-ethyl-3-[2-[(3-ethyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-5-methylimidazolidine-2,4-dione
CID 71112997
3-[6-[(3-ethyl-3-methyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 123406731
4-[6-[[3-(fluoromethyl)-3-methyl-1H-2-benzofuran-5-yl]oxy]-3-pyridinyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 118030770
(5R)-3-[2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 71089584
(5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione
CID 67959980
3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile
CID 53241113

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione (CID 71090096) is (5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)C3(CCCC3)OC4)nc2)C1=O.
What is the InChIKey of (5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione?
The InChIKey is NJSFHPVYLAMHCN-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-22(2)20(27)26(21(28)25-22)16-7-9-19(24-13-16)30-17-8-6-15-14-29-23(18(15)12-17)10-4-5-11-23/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,25,28)/t22-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione?
(5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione has a molecular weight of 407.47 g/mol, XLogP of 4.40, 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-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione is sourced from PubChem (CID 71090096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).