1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid

C19H20N2O3 — CID 20778181

IUPAC1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCC1C(C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-14-17(18(22)23)21(13-16-10-6-3-7-11-16)19(24)20(14)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,22,23)
InChIKeyUZQBNFCDZISYKP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.97
Rot. Bonds5

About 1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid

1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 20778181) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid
PubChem CID20778181
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCC1C(C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-14-17(18(22)23)21(13-16-10-6-3-7-11-16)19(24)20(14)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,22,23)
InChIKeyUZQBNFCDZISYKP-UHFFFAOYSA-N
XLogP2.97
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dibenzyl-5-(1,3-dibenzyl-5-carboxy-2-oxoimidazolidine-4-carbonyl)oxycarbonyl-2-oxoimidazolidine-4-carboxylic acid
CID 87775753
(4S,5R)-1,3-dibenzyl-5-[methyl(2-phenylethyl)carbamoyl]-2-oxoimidazolidine-4-carboxylic acid
CID 70552988
(4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide
CID 98456274
1-benzyl-3-methylazetidine-2-carboxylic acid
CID 130020571
3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid
CID 66523901
(4S,5R)-1,3-dibenzyl-2-oxo-5-prop-2-ynoxycarbonylimidazolidine-4-carboxylic acid
CID 25034106
2-[(3R,4R,5S)-4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl]acetic acid
CID 928429
2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid
CID 3486622
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(3R,4R)-3-acetyl-1-benzyl-4-prop-1-en-2-ylazetidin-2-one
CID 15358909
(4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid
CID 150430479
(2S,3S,4S)-1-benzyl-3-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 11658718

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of 1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid (CID 20778181) is 1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for 1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for 1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid is CC1C(C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is UZQBNFCDZISYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-17(18(22)23)21(13-16-10-6-3-7-11-16)19(24)20(14)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,22,23).
What are the key properties of 1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid?
1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 20778181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).