methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate

C19H19FN2O5 — CID 78726868

IUPACmethyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(Cc2cc(C(=O)OC)c(C)o2)C1=O
InChIInChI=1S/C19H19FN2O5/c1-4-19(12-5-7-13(20)8-6-12)17(24)22(18(25)21-19)10-14-9-15(11(2)27-14)16(23)26-3/h5-9H,4,10H2,1-3H3,(H,21,25)
InChIKeyLDUXQMGWBJWNID-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.87
Rot. Bonds5

About methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate (PubChem CID 78726868) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate
PubChem CID78726868
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Namemethyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(Cc2cc(C(=O)OC)c(C)o2)C1=O
InChIInChI=1S/C19H19FN2O5/c1-4-19(12-5-7-13(20)8-6-12)17(24)22(18(25)21-19)10-14-9-15(11(2)27-14)16(23)26-3/h5-9H,4,10H2,1-3H3,(H,21,25)
InChIKeyLDUXQMGWBJWNID-UHFFFAOYSA-N
XLogP2.87
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate
CID 40748417
methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 6599595
methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate
CID 9401563
methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate
CID 17468500
5-ethyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 46647994
5-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 51138980
5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 4804731
tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 4680291
(5S)-3-(2-ethoxyethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8521699
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 16615032
(5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571287

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate (CID 78726868) is methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate is CCC1(c2ccc(F)cc2)NC(=O)N(Cc2cc(C(=O)OC)c(C)o2)C1=O.
What is the InChIKey of methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is LDUXQMGWBJWNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-4-19(12-5-7-13(20)8-6-12)17(24)22(18(25)21-19)10-14-9-15(11(2)27-14)16(23)26-3/h5-9H,4,10H2,1-3H3,(H,21,25).
What are the key properties of methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 374.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 78726868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).