(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C21H25N3O4 — CID 51684131

IUPAC(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O
InChIInChI=1S/C21H25N3O4/c1-13-7-6-8-14(2)24(13)18(25)12-23-19(26)21(3,22-20(23)27)17-11-15-9-4-5-10-16(15)28-17/h4-5,9-11,13-14H,6-8,12H2,1-3H3,(H,22,27)/t13-,14-,21-/m1/s1
InChIKeyVLFWNYFPAPMQAG-ZMOMAAQPSA-N
MW383.45 g/mol
LogP2.99
Rot. Bonds3

About (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 51684131) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID51684131
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O
InChIInChI=1S/C21H25N3O4/c1-13-7-6-8-14(2)24(13)18(25)12-23-19(26)21(3,22-20(23)27)17-11-15-9-4-5-10-16(15)28-17/h4-5,9-11,13-14H,6-8,12H2,1-3H3,(H,22,27)/t13-,14-,21-/m1/s1
InChIKeyVLFWNYFPAPMQAG-ZMOMAAQPSA-N
XLogP2.99
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione
CID 41119322
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 55442296
(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 9292738
(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 40854425
(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 9451466
5-(1-benzofuran-2-yl)-3-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42893307
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 17397156
(5R)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41118775
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41411048
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41411043
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
CID 56521720
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55442262

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 51684131) is (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O.
What is the InChIKey of (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is VLFWNYFPAPMQAG-ZMOMAAQPSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-13-7-6-8-14(2)24(13)18(25)12-23-19(26)21(3,22-20(23)27)17-11-15-9-4-5-10-16(15)28-17/h4-5,9-11,13-14H,6-8,12H2,1-3H3,(H,22,27)/t13-,14-,21-/m1/s1.
What are the key properties of (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 383.45 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 51684131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).