(5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione

C15H12N2O3 — CID 126199485

IUPAC(5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2ccc(-c3ccccc3)o2)C1=O
InChIInChI=1S/C15H12N2O3/c1-17-14(18)12(16-15(17)19)9-11-7-8-13(20-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,19)/b12-9+
InChIKeyIBFWJZHHKHUEJQ-FMIVXFBMSA-N
MW268.27 g/mol
LogP2.47
Rot. Bonds2

About (5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione

(5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 126199485) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is (5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
PubChem CID126199485
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2ccc(-c3ccccc3)o2)C1=O
InChIInChI=1S/C15H12N2O3/c1-17-14(18)12(16-15(17)19)9-11-7-8-13(20-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,19)/b12-9+
InChIKeyIBFWJZHHKHUEJQ-FMIVXFBMSA-N
XLogP2.47
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.47
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
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 19287907
3-benzyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 1209510
(5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 59681883
(5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione
CID 126199492
4-[5-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
CID 146482864
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126198904
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 957263
2-methylidene-4-[(5-phenylfuran-2-yl)methylidene]-1,3-oxazolidin-5-one
CID 123208390
(5E)-3-ethyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 126231990
3-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
CID 7321399
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 1021159

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione (CID 126199485) is (5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione is CN1C(=O)N/C(=C/c2ccc(-c3ccccc3)o2)C1=O.
What is the InChIKey of (5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is IBFWJZHHKHUEJQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-17-14(18)12(16-15(17)19)9-11-7-8-13(20-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,19)/b12-9+.
What are the key properties of (5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
(5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 268.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126199485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).