methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate

C27H26N2O4 — CID 139818808

IUPACmethyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(=O)c2ccccc2)N(Cc2ccccc2)C(=O)N1C(C)c1ccccc1
InChIInChI=1S/C27H26N2O4/c1-19(21-14-8-4-9-15-21)29-24(26(31)33-2)23(25(30)22-16-10-5-11-17-22)28(27(29)32)18-20-12-6-3-7-13-20/h3-17,19,23-24H,18H2,1-2H3
InChIKeyBODXLWUUMVSNPT-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.48
Rot. Bonds7

About methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate

methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate (PubChem CID 139818808) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate
PubChem CID139818808
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Namemethyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(=O)c2ccccc2)N(Cc2ccccc2)C(=O)N1C(C)c1ccccc1
InChIInChI=1S/C27H26N2O4/c1-19(21-14-8-4-9-15-21)29-24(26(31)33-2)23(25(30)22-16-10-5-11-17-22)28(27(29)32)18-20-12-6-3-7-13-20/h3-17,19,23-24H,18H2,1-2H3
InChIKeyBODXLWUUMVSNPT-UHFFFAOYSA-N
XLogP4.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl 1,3-dibenzyl-2-oxo-imidazolidine-4,5-dicarboxylate
CID 392709
(5-Methyl-2-propan-2-ylcyclohexyl) 1-benzyl-5-(4-fluorobenzoyl)-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate
CID 139818688
Methyl 1,3-dibenzhydryl-5-(2-fluorobenzoyl)-2-oxoimidazolidine-4-carboxylate
CID 139818690
Methyl 1,3-dibenzhydryl-5-(3-fluorobenzoyl)-2-oxoimidazolidine-4-carboxylate
CID 139818809
Dimethyl cis-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate
CID 11234411
dimethyl (3R,4S,5S)-1,2-dibenzoyl-5-(2-phenylethyl)pyrazolidine-3,4-dicarboxylate
CID 12008495
ethyl 2-[(2R,4S)-3-benzoyl-4-benzyl-5-oxo-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate
CID 12143854
tert-butyl (2S,5S)-3-methyl-4-oxo-2-(3-oxo-3-phenylprop-1-en-2-yl)-5-phenylimidazolidine-1-carboxylate
CID 42603541
methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate
CID 73333980
methyl 6-[(4R,5R)-1,3-dibenzyl-5-(hydroxymethyl)-2-oxoimidazolidin-4-yl]-6-oxohexanoate
CID 73333981
methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate
CID 102178927
ethyl (2R,3S)-1-benzhydryl-3-benzoylaziridine-2-carboxylate
CID 134983902

Frequently Asked Questions

What is the IUPAC name of methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate?
The IUPAC name of methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate (CID 139818808) is methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate.
What is the SMILES notation for methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate?
The canonical SMILES for methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate is COC(=O)C1C(C(=O)c2ccccc2)N(Cc2ccccc2)C(=O)N1C(C)c1ccccc1.
What is the InChIKey of methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate?
The InChIKey is BODXLWUUMVSNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-19(21-14-8-4-9-15-21)29-24(26(31)33-2)23(25(30)22-16-10-5-11-17-22)28(27(29)32)18-20-12-6-3-7-13-20/h3-17,19,23-24H,18H2,1-2H3.
What are the key properties of methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate?
methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate has a molecular weight of 442.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate is sourced from PubChem (CID 139818808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).