(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione

C24H22N2O4 — CID 9451466

IUPAC(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O
InChIInChI=1S/C24H22N2O4/c1-24(21-13-18-8-4-5-9-20(18)30-21)22(28)26(23(29)25-24)14-19(27)17-11-10-15-6-2-3-7-16(15)12-17/h4-5,8-13H,2-3,6-7,14H2,1H3,(H,25,29)/t24-/m1/s1
InChIKeyLRBSYLIQMNQWGJ-XMMPIXPASA-N
MW402.45 g/mol
LogP3.96
Rot. Bonds4

About (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione

(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 9451466) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
PubChem CID9451466
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O
InChIInChI=1S/C24H22N2O4/c1-24(21-13-18-8-4-5-9-20(18)30-21)22(28)26(23(29)25-24)14-19(27)17-11-10-15-6-2-3-7-16(15)12-17/h4-5,8-13H,2-3,6-7,14H2,1H3,(H,25,29)/t24-/m1/s1
InChIKeyLRBSYLIQMNQWGJ-XMMPIXPASA-N
XLogP3.96
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.96
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

5-(furan-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 24520101
(5R)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 27110056
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 7178281
(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)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 51684131
(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
4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 42918874
(5R)-5-(3,4-difluorophenyl)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 27145082
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 17397156
4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 25479689
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (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) is (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione is C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O.
What is the InChIKey of (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is LRBSYLIQMNQWGJ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22N2O4/c1-24(21-13-18-8-4-5-9-20(18)30-21)22(28)26(23(29)25-24)14-19(27)17-11-10-15-6-2-3-7-16(15)12-17/h4-5,8-13H,2-3,6-7,14H2,1H3,(H,25,29)/t24-/m1/s1.
What are the key properties of (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione?
(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 402.45 g/mol, XLogP of 3.96, 4 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)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 9451466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).