benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate

C34H29N3O4 — CID 54506734

IUPACbenzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate
SMILESO=C1NC(C=Cc2ccccc2)C1N1C(=O)C(c2ccccc2)N(C(=O)OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C34H29N3O4/c38-31-30(28(35-31)22-21-24-13-5-1-6-14-24)36-32(27-19-11-4-12-20-27)37(29(33(36)39)26-17-9-3-10-18-26)34(40)41-23-25-15-7-2-8-16-25/h1-22,28-30,32H,23H2,(H,35,38)
InChIKeyYGGFQUXGTIDFDI-UHFFFAOYSA-N
MW543.62 g/mol
LogP5.49
Rot. Bonds7

About benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate

benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate (PubChem CID 54506734) has the molecular formula C34H29N3O4 and a molecular weight of 543.62 g/mol. Its IUPAC name is benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate
PubChem CID54506734
Molecular FormulaC34H29N3O4
Molecular Weight543.62 g/mol
Exact Mass543.22
IUPAC Namebenzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate
SMILESO=C1NC(C=Cc2ccccc2)C1N1C(=O)C(c2ccccc2)N(C(=O)OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C34H29N3O4/c38-31-30(28(35-31)22-21-24-13-5-1-6-14-24)36-32(27-19-11-4-12-20-27)37(29(33(36)39)26-17-9-3-10-18-26)34(40)41-23-25-15-7-2-8-16-25/h1-22,28-30,32H,23H2,(H,35,38)
InChIKeyYGGFQUXGTIDFDI-UHFFFAOYSA-N
XLogP5.49
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.62
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate with MolForge

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Related Compounds

benzyl 3-[2-[2-(furan-2-yl)ethenyl]-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]-4-oxo-2,5-diphenylimidazolidine-1-carboxylate
CID 54572215
benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate
CID 15399715
benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate
CID 102084079
benzyl (1S,5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 10658069
benzyl 5-formyl-3-oxo-1,2,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate
CID 141084489
benzyl (5S)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 91663906
benzyl 3-oxo-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 146026710
benzyl (1S,4S,5S)-4-fluoro-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 70017837
benzyl 3-phenyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 563561
benzyl (1S,6R)-10-azabicyclo[4.3.1]dec-3-ene-10-carboxylate
CID 12049881
benzyl (1S,2S,4R)-2-hydroxy-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10610494
benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate
CID 15054177

Frequently Asked Questions

What is the IUPAC name of benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate?
The IUPAC name of benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate (CID 54506734) is benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate.
What is the SMILES notation for benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate?
The canonical SMILES for benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate is O=C1NC(C=Cc2ccccc2)C1N1C(=O)C(c2ccccc2)N(C(=O)OCc2ccccc2)C1c1ccccc1.
What is the InChIKey of benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate?
The InChIKey is YGGFQUXGTIDFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O4/c38-31-30(28(35-31)22-21-24-13-5-1-6-14-24)36-32(27-19-11-4-12-20-27)37(29(33(36)39)26-17-9-3-10-18-26)34(40)41-23-25-15-7-2-8-16-25/h1-22,28-30,32H,23H2,(H,35,38).
What are the key properties of benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate?
benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate has a molecular weight of 543.62 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-oxo-3-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2,5-diphenylimidazolidine-1-carboxylate is sourced from PubChem (CID 54506734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).