2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid

C21H22N2O4 — CID 127038373

IUPAC2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid
SMILESCC(C)N1C(=O)CN(Cc2ccc(-c3ccc(CC(=O)O)cc3)cc2)C1=O
InChIInChI=1S/C21H22N2O4/c1-14(2)23-19(24)13-22(21(23)27)12-16-5-9-18(10-6-16)17-7-3-15(4-8-17)11-20(25)26/h3-10,14H,11-13H2,1-2H3,(H,25,26)
InChIKeyBZTOMIXEKSHYGP-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.15
Rot. Bonds6

About 2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid

2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid (PubChem CID 127038373) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid
PubChem CID127038373
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid
SMILESCC(C)N1C(=O)CN(Cc2ccc(-c3ccc(CC(=O)O)cc3)cc2)C1=O
InChIInChI=1S/C21H22N2O4/c1-14(2)23-19(24)13-22(21(23)27)12-16-5-9-18(10-6-16)17-7-3-15(4-8-17)11-20(25)26/h3-10,14H,11-13H2,1-2H3,(H,25,26)
InChIKeyBZTOMIXEKSHYGP-UHFFFAOYSA-N
XLogP3.15
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.15
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-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid (CID 127038373) is 2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid is CC(C)N1C(=O)CN(Cc2ccc(-c3ccc(CC(=O)O)cc3)cc2)C1=O.
What is the InChIKey of 2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid?
The InChIKey is BZTOMIXEKSHYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14(2)23-19(24)13-22(21(23)27)12-16-5-9-18(10-6-16)17-7-3-15(4-8-17)11-20(25)26/h3-10,14H,11-13H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid?
2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid has a molecular weight of 366.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 127038373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).