methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate

C13H16N2O3 — CID 116980330

IUPACmethyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1CC(c2ccccc2C)NC1=O
InChIInChI=1S/C13H16N2O3/c1-9-5-3-4-6-10(9)11-7-15(13(17)14-11)8-12(16)18-2/h3-6,11H,7-8H2,1-2H3,(H,14,17)
InChIKeyWTQGVLBPVUYBNK-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.23
Rot. Bonds3

About methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate

methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate (PubChem CID 116980330) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate
PubChem CID116980330
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1CC(c2ccccc2C)NC1=O
InChIInChI=1S/C13H16N2O3/c1-9-5-3-4-6-10(9)11-7-15(13(17)14-11)8-12(16)18-2/h3-6,11H,7-8H2,1-2H3,(H,14,17)
InChIKeyWTQGVLBPVUYBNK-UHFFFAOYSA-N
XLogP1.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate (CID 116980330) is methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate is COC(=O)CN1CC(c2ccccc2C)NC1=O.
What is the InChIKey of methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is WTQGVLBPVUYBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-5-3-4-6-10(9)11-7-15(13(17)14-11)8-12(16)18-2/h3-6,11H,7-8H2,1-2H3,(H,14,17).
What are the key properties of methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate?
methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 248.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 116980330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).