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

C23H26N2O5 — CID 13276246

IUPACdiethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate
SMILESCCOC(=O)[C@@H]1[C@H](C(=O)OCC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H26N2O5/c1-3-29-21(26)19-20(22(27)30-4-2)25(16-18-13-9-6-10-14-18)23(28)24(19)15-17-11-7-5-8-12-17/h5-14,19-20H,3-4,15-16H2,1-2H3/t19-,20+
InChIKeyKMDMEAVIRJZGST-BGYRXZFFSA-N
MW410.47 g/mol
LogP2.99
Rot. Bonds8

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

diethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate (PubChem CID 13276246) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is diethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate
PubChem CID13276246
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Namediethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate
SMILESCCOC(=O)[C@@H]1[C@H](C(=O)OCC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H26N2O5/c1-3-29-21(26)19-20(22(27)30-4-2)25(16-18-13-9-6-10-14-18)23(28)24(19)15-17-11-7-5-8-12-17/h5-14,19-20H,3-4,15-16H2,1-2H3/t19-,20+
InChIKeyKMDMEAVIRJZGST-BGYRXZFFSA-N
XLogP2.99
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate?
The IUPAC name of diethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate (CID 13276246) is diethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate.
What is the SMILES notation for diethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate?
The canonical SMILES for diethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate is CCOC(=O)[C@@H]1[C@H](C(=O)OCC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of diethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate?
The InChIKey is KMDMEAVIRJZGST-BGYRXZFFSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-3-29-21(26)19-20(22(27)30-4-2)25(16-18-13-9-6-10-14-18)23(28)24(19)15-17-11-7-5-8-12-17/h5-14,19-20H,3-4,15-16H2,1-2H3/t19-,20+.
What are the key properties of diethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate?
diethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate has a molecular weight of 410.47 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4R,5S)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate is sourced from PubChem (CID 13276246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).