methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate

C19H15FN2O4 — CID 2187286

IUPACmethyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1
InChIInChI=1S/C19H15FN2O4/c1-26-18(24)13-8-6-12(7-9-13)10-16-17(23)22(19(25)21-16)11-14-4-2-3-5-15(14)20/h2-10H,11H2,1H3,(H,21,25)/b16-10-
InChIKeyZAPAGCHCIPVWTD-YBEGLDIGSA-N
MW354.34 g/mol
LogP2.71
Rot. Bonds4

About methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate

methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate (PubChem CID 2187286) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate
PubChem CID2187286
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Namemethyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1
InChIInChI=1S/C19H15FN2O4/c1-26-18(24)13-8-6-12(7-9-13)10-16-17(23)22(19(25)21-16)11-14-4-2-3-5-15(14)20/h2-10H,11H2,1H3,(H,21,25)/b16-10-
InChIKeyZAPAGCHCIPVWTD-YBEGLDIGSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.71
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'}

Analyze methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate with MolForge

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Related Compounds

Methyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 4792670
4-[(2,4-Dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzoic acid methyl ester
CID 2622544
Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate
CID 262072
methyl 4-[(E)-3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxoprop-1-enyl]benzoate
CID 2528685
Methyl 4-[[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 16196290
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 4-formylbenzoate
CID 25163304
Methyl 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoate
CID 155554730
Methyl 4-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzoate
CID 2111186
Methyl 4-methyl-3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]benzoate
CID 8819508
Methyl 4-[[[1-(benzylamino)-1-oxopropan-2-yl]-prop-2-ynoylamino]methyl]benzoate
CID 166633612
[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-methoxyethyl)carbamoyl]methyl 4-formylbenzoate
CID 24856281
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 4-ethylbenzoate
CID 24982478

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate?
The IUPAC name of methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate (CID 2187286) is methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate is COC(=O)c1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1.
What is the InChIKey of methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate?
The InChIKey is ZAPAGCHCIPVWTD-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-26-18(24)13-8-6-12(7-9-13)10-16-17(23)22(19(25)21-16)11-14-4-2-3-5-15(14)20/h2-10H,11H2,1H3,(H,21,25)/b16-10-.
What are the key properties of methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate?
methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate has a molecular weight of 354.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate is sourced from PubChem (CID 2187286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).