(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione

C18H20N2O4 — CID 40854425

IUPAC(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O
InChIInChI=1S/C18H20N2O4/c1-17(2,3)13(21)10-20-15(22)18(4,19-16(20)23)14-9-11-7-5-6-8-12(11)24-14/h5-9H,10H2,1-4H3,(H,19,23)/t18-/m0/s1
InChIKeyUINVNHNUFPXWIE-SFHVURJKSA-N
MW328.37 g/mol
LogP2.82
Rot. Bonds3

About (5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione

(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione (PubChem CID 40854425) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
PubChem CID40854425
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O
InChIInChI=1S/C18H20N2O4/c1-17(2,3)13(21)10-20-15(22)18(4,19-16(20)23)14-9-11-7-5-6-8-12(11)24-14/h5-9H,10H2,1-4H3,(H,19,23)/t18-/m0/s1
InChIKeyUINVNHNUFPXWIE-SFHVURJKSA-N
XLogP2.82
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.82
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

(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 9292738
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 17397156
(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione
CID 40767489
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 51684131
2-[(4S)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31383653
4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 42918874
(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
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)-3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41088212
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
CID 56521720
(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-[(2-bromophenyl)methyl]-N-methylacetamide
CID 55445044

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione (CID 40854425) is (5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione is CC(C)(C)C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O.
What is the InChIKey of (5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is UINVNHNUFPXWIE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-17(2,3)13(21)10-20-15(22)18(4,19-16(20)23)14-9-11-7-5-6-8-12(11)24-14/h5-9H,10H2,1-4H3,(H,19,23)/t18-/m0/s1.
What are the key properties of (5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione?
(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 328.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 40854425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).