dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate

C22H24N2O5 — CID 139818714

IUPACdimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)N(C(C)c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H24N2O5/c1-15(17-12-8-5-9-13-17)24-19(21(26)29-3)18(20(25)28-2)23(22(24)27)14-16-10-6-4-7-11-16/h4-13,15,18-19H,14H2,1-3H3
InChIKeyNBYZHTLNXFTAIY-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.77
Rot. Bonds6

About dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate

dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate (PubChem CID 139818714) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate
PubChem CID139818714
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Namedimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)N(C(C)c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H24N2O5/c1-15(17-12-8-5-9-13-17)24-19(21(26)29-3)18(20(25)28-2)23(22(24)27)14-16-10-6-4-7-11-16/h4-13,15,18-19H,14H2,1-3H3
InChIKeyNBYZHTLNXFTAIY-UHFFFAOYSA-N
XLogP2.77
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Furo(3,4-d)imidazole-2,4,6(3H)-trione, dihydro-1,3-bis(phenylmethyl)-, (3aR,6aS)-rel-
CID 10616831
cis-1,3-Dibenzyl-2-imidazolidone-4,5-dicarboxylic acid
CID 9841512
2,3-Bis[benzyl(ethoxycarbonyl)amino]butanedioic acid
CID 657674
Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate
CID 3155071
2-Oxo-1,3-bis(phenylmethyl)-4,5-imidazolidinedicarboxylic acid
CID 101078
(3As,6ar)-1,3-dibenzyltetrahydro-1h-furo[3,4-d]imidazole-2,4-dione
CID 119819
dimethyl (2S)-2-[(10aS)-3,3-dimethyl-1-oxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]butanedioate
CID 53324727
Methyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate
CID 134793783
Dimethyl 2-(4-benzylpiperazin-1-yl)succinate
CID 16422929
(4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid
CID 11152843
1,3-Dibenzyldihydro-1H-furo[3,4-d]-imidazole-2,4-(3H, 3aH)dione
CID 11255724
4-Imidazolidinecarboxylic acid, 5-[(aminocarbonyl)amino]-2-oxo-1,3-bis(phenylmethyl)-, ethyl ester
CID 368268

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate?
The IUPAC name of dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate (CID 139818714) is dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate is COC(=O)C1C(C(=O)OC)N(C(C)c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate?
The InChIKey is NBYZHTLNXFTAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-15(17-12-8-5-9-13-17)24-19(21(26)29-3)18(20(25)28-2)23(22(24)27)14-16-10-6-4-7-11-16/h4-13,15,18-19H,14H2,1-3H3.
What are the key properties of dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate?
dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate has a molecular weight of 396.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate is sourced from PubChem (CID 139818714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).