(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione

C21H18N2O3 — CID 40767489

IUPAC(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2cc3ccccc3o2)NC(=O)N(C/C=C/c2ccccc2)C1=O
InChIInChI=1S/C21H18N2O3/c1-21(18-14-16-11-5-6-12-17(16)26-18)19(24)23(20(25)22-21)13-7-10-15-8-3-2-4-9-15/h2-12,14H,13H2,1H3,(H,22,25)/b10-7+/t21-/m1/s1
InChIKeySDRCCIJBGYJFIK-TYOLEZHBSA-N
MW346.39 g/mol
LogP3.91
Rot. Bonds4

About (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione

(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione (PubChem CID 40767489) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione
PubChem CID40767489
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2cc3ccccc3o2)NC(=O)N(C/C=C/c2ccccc2)C1=O
InChIInChI=1S/C21H18N2O3/c1-21(18-14-16-11-5-6-12-17(16)26-18)19(24)23(20(25)22-21)13-7-10-15-8-3-2-4-9-15/h2-12,14H,13H2,1H3,(H,22,25)/b10-7+/t21-/m1/s1
InChIKeySDRCCIJBGYJFIK-TYOLEZHBSA-N
XLogP3.91
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 40854425
5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione
CID 75479091
(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 9292738
5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 17410607
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 51684131
(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)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 94870299
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 17397156
(5R)-5-(1-benzofuran-2-yl)-3-[(5-bromo-2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 95630729
5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
CID 71914522
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione (CID 40767489) is (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione is C[C@]1(c2cc3ccccc3o2)NC(=O)N(C/C=C/c2ccccc2)C1=O.
What is the InChIKey of (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione?
The InChIKey is SDRCCIJBGYJFIK-TYOLEZHBSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-21(18-14-16-11-5-6-12-17(16)26-18)19(24)23(20(25)22-21)13-7-10-15-8-3-2-4-9-15/h2-12,14H,13H2,1H3,(H,22,25)/b10-7+/t21-/m1/s1.
What are the key properties of (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione?
(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione has a molecular weight of 346.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione is sourced from PubChem (CID 40767489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).