2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid

C18H24N2O4 — CID 3699759

IUPAC2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid
SMILESCC(C)CC1C(=O)N(C(C)(C)C(=O)O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H24N2O4/c1-12(2)10-14-15(21)20(18(3,4)16(22)23)17(24)19(14)11-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,22,23)
InChIKeyXUNHSNDVQDXXGR-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.73
Rot. Bonds6

About 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid

2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid (PubChem CID 3699759) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid
PubChem CID3699759
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid
SMILESCC(C)CC1C(=O)N(C(C)(C)C(=O)O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H24N2O4/c1-12(2)10-14-15(21)20(18(3,4)16(22)23)17(24)19(14)11-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,22,23)
InChIKeyXUNHSNDVQDXXGR-UHFFFAOYSA-N
XLogP2.73
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid
CID 4995514
2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 3699736
methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate
CID 142133689
1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 12032341
4-acetyl-3-hydroxy-2-(2-methylpropyl)-1-[(4-phenylphenyl)methyl]-2H-pyrrol-5-one
CID 68895332
1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 20778181
(2R)-1-benzyl-6-hydroxy-2-(2-methylpropyl)-2H-1,4-diazepin-3-one
CID 175456327
3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 20676238
1-benzyl-6-hydroxy-2-(2-methylpropyl)-2H-1,4-diazepin-3-one
CID 175456248
(5S)-3-acetyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 90883366
3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid
CID 66523901
(2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one
CID 15172348

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid (CID 3699759) is 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid is CC(C)CC1C(=O)N(C(C)(C)C(=O)O)C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid?
The InChIKey is XUNHSNDVQDXXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(2)10-14-15(21)20(18(3,4)16(22)23)17(24)19(14)11-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,22,23).
What are the key properties of 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid?
2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 3699759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).