methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate

C18H18N2O5 — CID 17468500

IUPACmethyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate
SMILESCCC1(c2ccccc2)NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O
InChIInChI=1S/C18H18N2O5/c1-3-18(12-7-5-4-6-8-12)16(22)20(17(23)19-18)11-13-9-10-14(25-13)15(21)24-2/h4-10H,3,11H2,1-2H3,(H,19,23)
InChIKeyAHOZIIOXVMCGCZ-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.42
Rot. Bonds5

About methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate

methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate (PubChem CID 17468500) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate
PubChem CID17468500
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namemethyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate
SMILESCCC1(c2ccccc2)NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O
InChIInChI=1S/C18H18N2O5/c1-3-18(12-7-5-4-6-8-12)16(22)20(17(23)19-18)11-13-9-10-14(25-13)15(21)24-2/h4-10H,3,11H2,1-2H3,(H,19,23)
InChIKeyAHOZIIOXVMCGCZ-UHFFFAOYSA-N
XLogP2.42
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate 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

methyl 5-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]furan-2-carboxylate
CID 35845670
methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 6599595
methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78726868
methyl 5-[[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]methyl]furan-2-carboxylate
CID 30512391
methyl 5-[[(5S)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]methyl]furan-2-carboxylate
CID 30512388
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
(5S)-3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7242730
methyl 2-methyl-5-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate
CID 40748417
methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate
CID 16549652
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810291

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate (CID 17468500) is methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate is CCC1(c2ccccc2)NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O.
What is the InChIKey of methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate?
The InChIKey is AHOZIIOXVMCGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-3-18(12-7-5-4-6-8-12)16(22)20(17(23)19-18)11-13-9-10-14(25-13)15(21)24-2/h4-10H,3,11H2,1-2H3,(H,19,23).
What are the key properties of methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate?
methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate has a molecular weight of 342.35 g/mol, XLogP of 2.42, 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-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 17468500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).