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

C25H24N2O4 — CID 3699736

IUPAC2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1C(=O)C(Cc2ccccc2)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C25H24N2O4/c1-25(2,23(29)30)27-22(28)21(15-17-9-4-3-5-10-17)26(24(27)31)16-19-13-8-12-18-11-6-7-14-20(18)19/h3-14,21H,15-16H2,1-2H3,(H,29,30)
InChIKeyQEFXVCLBIZQXMZ-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.08
Rot. Bonds6

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

2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid (PubChem CID 3699736) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid
PubChem CID3699736
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1C(=O)C(Cc2ccccc2)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C25H24N2O4/c1-25(2,23(29)30)27-22(28)21(15-17-9-4-3-5-10-17)26(24(27)31)16-19-13-8-12-18-11-6-7-14-20(18)19/h3-14,21H,15-16H2,1-2H3,(H,29,30)
InChIKeyQEFXVCLBIZQXMZ-UHFFFAOYSA-N
XLogP4.08
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid (CID 3699736) is 2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)N1C(=O)C(Cc2ccccc2)N(Cc2cccc3ccccc23)C1=O.
What is the InChIKey of 2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid?
The InChIKey is QEFXVCLBIZQXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-25(2,23(29)30)27-22(28)21(15-17-9-4-3-5-10-17)26(24(27)31)16-19-13-8-12-18-11-6-7-14-20(18)19/h3-14,21H,15-16H2,1-2H3,(H,29,30).
What are the key properties of 2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid?
2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid has a molecular weight of 416.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 3699736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).