methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate

C17H22N2O4 — CID 142133689

IUPACmethyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1CC(C)C
InChIInChI=1S/C17H22N2O4/c1-12(2)9-14-16(21)19(10-13-7-5-4-6-8-13)17(22)18(14)11-15(20)23-3/h4-8,12,14H,9-11H2,1-3H3
InChIKeyWKHHLPHTUMMSJR-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.04
Rot. Bonds6

About methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate

methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate (PubChem CID 142133689) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate
PubChem CID142133689
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namemethyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1CC(C)C
InChIInChI=1S/C17H22N2O4/c1-12(2)9-14-16(21)19(10-13-7-5-4-6-8-13)17(22)18(14)11-15(20)23-3/h4-8,12,14H,9-11H2,1-3H3
InChIKeyWKHHLPHTUMMSJR-UHFFFAOYSA-N
XLogP2.04
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 3699759
2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid
CID 4995514
methyl 2-[3-benzyl-5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 2892399
methyl 3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 134346997
methyl 4-[[2-[1-benzyl-3-(2-methoxy-2-oxoethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 4049428
ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate
CID 95242706
methyl 2-[(2S,5S)-5-(2-methoxy-2-oxoethyl)-3,6-dioxo-1,4-bis(2-oxo-2-phenylmethoxyethyl)piperazin-2-yl]acetate
CID 11215029
dimethyl (3S,4S,5S)-1-(2-methoxy-2-oxoethyl)-2-oxo-5-phenylpyrrolidine-3,4-dicarboxylate
CID 15314815
5-acetyl-1-benzyl-3-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 174427636
methyl 2-(2-benzyl-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl)acetate
CID 95921840
methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
CID 154831058
3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one
CID 142133732

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate (CID 142133689) is methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate is COC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1CC(C)C.
What is the InChIKey of methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate?
The InChIKey is WKHHLPHTUMMSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(2)9-14-16(21)19(10-13-7-5-4-6-8-13)17(22)18(14)11-15(20)23-3/h4-8,12,14H,9-11H2,1-3H3.
What are the key properties of methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate?
methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate has a molecular weight of 318.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 142133689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).