propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate

C15H16N2O4 — CID 54486617

IUPACpropan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate
SMILESCC(C)OC(=O)C=C1NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C15H16N2O4/c1-10(2)21-13(18)8-12-14(19)17(15(20)16-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,16,20)
InChIKeyXSTNLCFVNBHCGU-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.57
Rot. Bonds4

About propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate

propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate (PubChem CID 54486617) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate
PubChem CID54486617
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namepropan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate
SMILESCC(C)OC(=O)C=C1NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C15H16N2O4/c1-10(2)21-13(18)8-12-14(19)17(15(20)16-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,16,20)
InChIKeyXSTNLCFVNBHCGU-UHFFFAOYSA-N
XLogP1.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate
CID 20515711
(5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 126211878
(5E)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 68648545
2-[4-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2,6-dibromophenoxy]acetic acid
CID 5453170
4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 7897314
propan-2-yl 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 43018408
(5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione
CID 126021869
(5E)-3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6006049
3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4084865
(5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126207442
methyl 2-[5-[(E)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
CID 126249651
(5E)-3-benzyl-5-[(3-bromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126213828

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate?
The IUPAC name of propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate (CID 54486617) is propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate.
What is the SMILES notation for propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate?
The canonical SMILES for propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate is CC(C)OC(=O)C=C1NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate?
The InChIKey is XSTNLCFVNBHCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(2)21-13(18)8-12-14(19)17(15(20)16-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,16,20).
What are the key properties of propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate?
propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate has a molecular weight of 288.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate is sourced from PubChem (CID 54486617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).