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

C13H15FN2O3 — CID 116982014

IUPAC2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid
SMILESCc1cc(C2CN(CC(=O)O)C(=O)N2C)ccc1F
InChIInChI=1S/C13H15FN2O3/c1-8-5-9(3-4-10(8)14)11-6-16(7-12(17)18)13(19)15(11)2/h3-5,11H,6-7H2,1-2H3,(H,17,18)
InChIKeyXWXROEKEIGIJEJ-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.63
Rot. Bonds3

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

2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid (PubChem CID 116982014) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid
PubChem CID116982014
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid
SMILESCc1cc(C2CN(CC(=O)O)C(=O)N2C)ccc1F
InChIInChI=1S/C13H15FN2O3/c1-8-5-9(3-4-10(8)14)11-6-16(7-12(17)18)13(19)15(11)2/h3-5,11H,6-7H2,1-2H3,(H,17,18)
InChIKeyXWXROEKEIGIJEJ-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid (CID 116982014) is 2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid is Cc1cc(C2CN(CC(=O)O)C(=O)N2C)ccc1F.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid?
The InChIKey is XWXROEKEIGIJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8-5-9(3-4-10(8)14)11-6-16(7-12(17)18)13(19)15(11)2/h3-5,11H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid?
2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid has a molecular weight of 266.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 116982014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).