2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

C20H18N2O5 — CID 23510007

IUPAC2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC1(c2ccc(C=O)cc2)C(=O)N(CC(=O)O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H18N2O5/c1-20(16-9-7-15(13-23)8-10-16)18(26)21(12-17(24)25)19(27)22(20)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,24,25)
InChIKeySCKVCWJSEQCYIB-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.26
Rot. Bonds6

About 2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 23510007) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID23510007
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC1(c2ccc(C=O)cc2)C(=O)N(CC(=O)O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H18N2O5/c1-20(16-9-7-15(13-23)8-10-16)18(26)21(12-17(24)25)19(27)22(20)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,24,25)
InChIKeySCKVCWJSEQCYIB-UHFFFAOYSA-N
XLogP2.26
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 23510007) is 2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is CC1(c2ccc(C=O)cc2)C(=O)N(CC(=O)O)C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is SCKVCWJSEQCYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-20(16-9-7-15(13-23)8-10-16)18(26)21(12-17(24)25)19(27)22(20)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,24,25).
What are the key properties of 2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 366.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 23510007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).