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

C19H19ClN2O5 — CID 3000113

IUPACmethyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate
SMILESCCC1(c2cccc(Cl)c2)NC(=O)N(Cc2cc(C(=O)OC)c(C)o2)C1=O
InChIInChI=1S/C19H19ClN2O5/c1-4-19(12-6-5-7-13(20)8-12)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)
InChIKeyIWBLAHNXUDCEBY-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.39
Rot. Bonds5

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

methyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate (PubChem CID 3000113) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is methyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate
PubChem CID3000113
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Namemethyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate
SMILESCCC1(c2cccc(Cl)c2)NC(=O)N(Cc2cc(C(=O)OC)c(C)o2)C1=O
InChIInChI=1S/C19H19ClN2O5/c1-4-19(12-6-5-7-13(20)8-12)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)
InChIKeyIWBLAHNXUDCEBY-UHFFFAOYSA-N
XLogP3.39
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate (CID 3000113) is methyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate is CCC1(c2cccc(Cl)c2)NC(=O)N(Cc2cc(C(=O)OC)c(C)o2)C1=O.
What is the InChIKey of methyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is IWBLAHNXUDCEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-4-19(12-6-5-7-13(20)8-12)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-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 390.82 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 3000113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).