dipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate

C25H30N2O5 — CID 18595938

IUPACdipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate
SMILESCCCOC(=O)[C@@H]1[C@H](C(=O)OCCC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H30N2O5/c1-3-15-31-23(28)21-22(24(29)32-16-4-2)27(18-20-13-9-6-10-14-20)25(30)26(21)17-19-11-7-5-8-12-19/h5-14,21-22H,3-4,15-18H2,1-2H3/t21-,22+
InChIKeyNSDMLBAFNDFXRE-SZPZYZBQSA-N
MW438.52 g/mol
LogP3.77
Rot. Bonds10

About dipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate

dipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate (PubChem CID 18595938) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is dipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate.

Molecular Properties

Compound Namedipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate
PubChem CID18595938
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Namedipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate
SMILESCCCOC(=O)[C@@H]1[C@H](C(=O)OCCC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H30N2O5/c1-3-15-31-23(28)21-22(24(29)32-16-4-2)27(18-20-13-9-6-10-14-20)25(30)26(21)17-19-11-7-5-8-12-19/h5-14,21-22H,3-4,15-18H2,1-2H3/t21-,22+
InChIKeyNSDMLBAFNDFXRE-SZPZYZBQSA-N
XLogP3.77
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate?
The IUPAC name of dipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate (CID 18595938) is dipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate.
What is the SMILES notation for dipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate?
The canonical SMILES for dipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate is CCCOC(=O)[C@@H]1[C@H](C(=O)OCCC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of dipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate?
The InChIKey is NSDMLBAFNDFXRE-SZPZYZBQSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-3-15-31-23(28)21-22(24(29)32-16-4-2)27(18-20-13-9-6-10-14-20)25(30)26(21)17-19-11-7-5-8-12-19/h5-14,21-22H,3-4,15-18H2,1-2H3/t21-,22+.
What are the key properties of dipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate?
dipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate has a molecular weight of 438.52 g/mol, XLogP of 3.77, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate is sourced from PubChem (CID 18595938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).