(5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

C17H13FN2O3 — CID 124576191

IUPAC(5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccco2)NC(=O)N(CC#Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H13FN2O3/c1-17(14-5-3-11-23-14)15(21)20(16(22)19-17)10-2-4-12-6-8-13(18)9-7-12/h3,5-9,11H,10H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyOVNGTQFTOXXUQB-QGZVFWFLSA-N
MW312.30 g/mol
LogP2.24
Rot. Bonds2

About (5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

(5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 124576191) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is (5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID124576191
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name(5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccco2)NC(=O)N(CC#Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H13FN2O3/c1-17(14-5-3-11-23-14)15(21)20(16(22)19-17)10-2-4-12-6-8-13(18)9-7-12/h3,5-9,11H,10H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyOVNGTQFTOXXUQB-QGZVFWFLSA-N
XLogP2.24
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-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

(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385595
(5S)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385593
3-(2-aminopropyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18073152
2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 17395489
N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51249939
N-(5-fluoro-2-methylphenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18098998
N-(3-fluorophenyl)-2-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 27109548
5-(furan-2-yl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 46640128
(5S)-5-(furan-2-yl)-3-[2-(2-methoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 94498941
3-[2-(4-chlorophenoxy)ethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51249961
(5S)-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 52512072

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (CID 124576191) is (5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccco2)NC(=O)N(CC#Cc2ccc(F)cc2)C1=O.
What is the InChIKey of (5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is OVNGTQFTOXXUQB-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-17(14-5-3-11-23-14)15(21)20(16(22)19-17)10-2-4-12-6-8-13(18)9-7-12/h3,5-9,11H,10H2,1H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 312.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 124576191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).