3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione

C21H15FN2O3 — CID 1209510

IUPAC3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H15FN2O3/c22-16-8-6-15(7-9-16)19-11-10-17(27-19)12-18-20(25)24(21(26)23-18)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,26)
InChIKeyVFXCEENRTLLERY-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.18
Rot. Bonds4

About 3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione

3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 1209510) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is 3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
PubChem CID1209510
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Name3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H15FN2O3/c22-16-8-6-15(7-9-16)19-11-10-17(27-19)12-18-20(25)24(21(26)23-18)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,26)
InChIKeyVFXCEENRTLLERY-UHFFFAOYSA-N
XLogP4.18
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5Z)-3-benzyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126203245
4-[5-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
CID 146482864
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]-2-chlorobenzoic acid
CID 126204116
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 2271798
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 1021159
3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
CID 7321399
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 5225466
methyl 2-[5-[(E)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
CID 126249651
4-[5-[[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile
CID 3769702
2-chloro-4-[5-[[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 1005332
4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile
CID 6521608

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione (CID 1209510) is 3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione is O=C1NC(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is VFXCEENRTLLERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c22-16-8-6-15(7-9-16)19-11-10-17(27-19)12-18-20(25)24(21(26)23-18)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,26).
What are the key properties of 3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 362.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 1209510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).