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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Related Compounds

1-ethyl-4-(2-methylphenyl)imidazolidin-2-one
CID 116981049
3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116980283
1-(3-hydroxypropyl)-4-(2-methoxyphenyl)imidazolidin-2-one
CID 116979454
methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate
CID 116980356
3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979536
(5R)-5-(2-methylphenyl)pyrrolidin-2-one
CID 124706826
methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate
CID 116980345
2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 125482464
methyl 2-[3,5-dibenzoyl-4-(2-methylphenyl)-4H-pyridin-1-yl]acetate
CID 16738913
methyl 5-(2-methylphenyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 65170893
methyl 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate
CID 1472539
4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116979888

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).