2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid

C12H13FN2O3 — CID 5076480

IUPAC2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C12H13FN2O3/c13-10-3-1-9(2-4-10)7-14-5-6-15(12(14)18)8-11(16)17/h1-4H,5-8H2,(H,16,17)
InChIKeyQCBBSJBGKKOQAZ-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.15
Rot. Bonds4

About 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid (PubChem CID 5076480) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid
PubChem CID5076480
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C12H13FN2O3/c13-10-3-1-9(2-4-10)7-14-5-6-15(12(14)18)8-11(16)17/h1-4H,5-8H2,(H,16,17)
InChIKeyQCBBSJBGKKOQAZ-UHFFFAOYSA-N
XLogP1.15
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-Fluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 2767579
Ethyl 2-[3-(2-fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate
CID 2767595
2-[3-(3-Fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetic acid
CID 3749771
Ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate
CID 2767604
2-{2,4,5-Trioxo-3-[4-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetic acid
CID 2767618
3-(4-Fluorobenzyl)imidazolidine-2,4-dione
CID 835217
[3-(2-Chlorobenzyl)-2-oxoimidazolidin-1-yl]acetic acid
CID 3237557
[3-(2-Chloro-4-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetic acid
CID 3240174
[3-(3-Methylbenzyl)-2-oxoimidazolidin-1-yl]acetic acid
CID 3245043
2-[3-(2-Chloro-6-fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetic acid
CID 2767599
2-[3-(2-Fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetic acid
CID 2767606
2-[3-(4-Fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetamide
CID 2767620

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid (CID 5076480) is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid is O=C(O)CN1CCN(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
The InChIKey is QCBBSJBGKKOQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-10-3-1-9(2-4-10)7-14-5-6-15(12(14)18)8-11(16)17/h1-4H,5-8H2,(H,16,17).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid has a molecular weight of 252.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 5076480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).