methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate

C19H16N2O4 — CID 70627079

IUPACmethyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate
SMILESCOC(=O)/C=C1/C(=O)N(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H16N2O4/c1-25-17(22)12-16-18(23)21(15-10-6-3-7-11-15)19(24)20(16)13-14-8-4-2-5-9-14/h2-12H,13H2,1H3/b16-12-
InChIKeyYZMADJWWQXZVTD-VBKFSLOCSA-N
MW336.35 g/mol
LogP2.71
Rot. Bonds4

About methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate

methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate (PubChem CID 70627079) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate
PubChem CID70627079
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Namemethyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate
SMILESCOC(=O)/C=C1/C(=O)N(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H16N2O4/c1-25-17(22)12-16-18(23)21(15-10-6-3-7-11-15)19(24)20(16)13-14-8-4-2-5-9-14/h2-12H,13H2,1H3/b16-12-
InChIKeyYZMADJWWQXZVTD-VBKFSLOCSA-N
XLogP2.71
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate (CID 70627079) is methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate is COC(=O)/C=C1/C(=O)N(c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate?
The InChIKey is YZMADJWWQXZVTD-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-25-17(22)12-16-18(23)21(15-10-6-3-7-11-15)19(24)20(16)13-14-8-4-2-5-9-14/h2-12H,13H2,1H3/b16-12-.
What are the key properties of methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate?
methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate has a molecular weight of 336.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate is sourced from PubChem (CID 70627079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).