3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate

C22H15N2O5- — CID 7321399

IUPAC3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
SMILESO=C([O-])c1cccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)o2)c1
InChIInChI=1S/C22H16N2O5/c25-20-18(23-22(28)24(20)13-14-5-2-1-3-6-14)12-17-9-10-19(29-17)15-7-4-8-16(11-15)21(26)27/h1-12H,13H2,(H,23,28)(H,26,27)/p-1/b18-12-
InChIKeyTWALHXHOOIFRGH-PDGQHHTCSA-M
MW387.37 g/mol
LogP2.40
Rot. Bonds5

About 3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate

3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate (PubChem CID 7321399) has the molecular formula C22H15N2O5- and a molecular weight of 387.37 g/mol. Its IUPAC name is 3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Name3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
PubChem CID7321399
Molecular FormulaC22H15N2O5-
Molecular Weight387.37 g/mol
Exact Mass387.10
IUPAC Name3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
SMILESO=C([O-])c1cccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)o2)c1
InChIInChI=1S/C22H16N2O5/c25-20-18(23-22(28)24(20)13-14-5-2-1-3-6-14)12-17-9-10-19(29-17)15-7-4-8-16(11-15)21(26)27/h1-12H,13H2,(H,23,28)(H,26,27)/p-1/b18-12-
InChIKeyTWALHXHOOIFRGH-PDGQHHTCSA-M
XLogP2.40
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate with MolForge

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Related Compounds

(5Z)-3-benzyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126203245
3-[5-[(Z)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 126248233
4-[5-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
CID 146482864
4-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid
CID 126204116
3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 1209510
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 5225466
5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 3747724
4-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]-3-methylbenzoic acid
CID 7325155
2-chloro-5-[5-[[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 3604096
methyl 2-[5-[(E)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
CID 126249651
methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 6184448
3-[5-[(Z)-(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
CID 7364284

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate?
The IUPAC name of 3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate (CID 7321399) is 3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate.
What is the SMILES notation for 3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate?
The canonical SMILES for 3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate is O=C([O-])c1cccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)o2)c1.
What is the InChIKey of 3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate?
The InChIKey is TWALHXHOOIFRGH-PDGQHHTCSA-M. The full InChI is InChI=1S/C22H16N2O5/c25-20-18(23-22(28)24(20)13-14-5-2-1-3-6-14)12-17-9-10-19(29-17)15-7-4-8-16(11-15)21(26)27/h1-12H,13H2,(H,23,28)(H,26,27)/p-1/b18-12-.
What are the key properties of 3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate?
3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate has a molecular weight of 387.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate is sourced from PubChem (CID 7321399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).