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

C21H22N2O5 — CID 11234411

IUPACdimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@H](C(=O)OC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H22N2O5/c1-27-19(24)17-18(20(25)28-2)23(14-16-11-7-4-8-12-16)21(26)22(17)13-15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3/t17-,18+
InChIKeyBBTUUSONTSSVJB-HDICACEKSA-N
MW382.42 g/mol
LogP2.21
Rot. Bonds6

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

dimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate (PubChem CID 11234411) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is dimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate
PubChem CID11234411
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Namedimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@H](C(=O)OC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H22N2O5/c1-27-19(24)17-18(20(25)28-2)23(14-16-11-7-4-8-12-16)21(26)22(17)13-15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3/t17-,18+
InChIKeyBBTUUSONTSSVJB-HDICACEKSA-N
XLogP2.21
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate?
The IUPAC name of dimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate (CID 11234411) is dimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate?
The canonical SMILES for dimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate is COC(=O)[C@@H]1[C@H](C(=O)OC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of dimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate?
The InChIKey is BBTUUSONTSSVJB-HDICACEKSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-27-19(24)17-18(20(25)28-2)23(14-16-11-7-4-8-12-16)21(26)22(17)13-15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3/t17-,18+.
What are the key properties of dimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate?
dimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate has a molecular weight of 382.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate is sourced from PubChem (CID 11234411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).