methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate

C20H19FN2O4 — CID 6599595

IUPACmethyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O
InChIInChI=1S/C20H19FN2O4/c1-3-20(15-8-10-16(21)11-9-15)18(25)23(19(26)22-20)12-13-4-6-14(7-5-13)17(24)27-2/h4-11H,3,12H2,1-2H3,(H,22,26)/t20-/m1/s1
InChIKeyHSZVVQPUMVUHSI-HXUWFJFHSA-N
MW370.38 g/mol
LogP2.97
Rot. Bonds5

About methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate

methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate (PubChem CID 6599595) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
PubChem CID6599595
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Namemethyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O
InChIInChI=1S/C20H19FN2O4/c1-3-20(15-8-10-16(21)11-9-15)18(25)23(19(26)22-20)12-13-4-6-14(7-5-13)17(24)27-2/h4-11H,3,12H2,1-2H3,(H,22,26)/t20-/m1/s1
InChIKeyHSZVVQPUMVUHSI-HXUWFJFHSA-N
XLogP2.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate with MolForge

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Related Compounds

5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
5-ethyl-5-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 46644860
3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4832172
methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78726868
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7802349
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
methyl 5-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]furan-2-carboxylate
CID 17468500
5-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 51138980
5-ethyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 46647994
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097
methyl 4-[[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]methyl]benzoate
CID 7595709

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate (CID 6599595) is methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate is CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O.
What is the InChIKey of methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate?
The InChIKey is HSZVVQPUMVUHSI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-3-20(15-8-10-16(21)11-9-15)18(25)23(19(26)22-20)12-13-4-6-14(7-5-13)17(24)27-2/h4-11H,3,12H2,1-2H3,(H,22,26)/t20-/m1/s1.
What are the key properties of methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate?
methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate has a molecular weight of 370.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate is sourced from PubChem (CID 6599595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).