(5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one

C34H26N4O6S2 — CID 11193081

IUPAC(5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one
SMILESO=C(CSC1=N/C(=C\c2ccco2)C(=O)N1CCN1C(=O)/C(=C/c2ccco2)N=C1SCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26N4O6S2/c39-29(23-9-3-1-4-10-23)21-45-33-35-27(19-25-13-7-17-43-25)31(41)37(33)15-16-38-32(42)28(20-26-14-8-18-44-26)36-34(38)46-22-30(40)24-11-5-2-6-12-24/h1-14,17-20H,15-16,21-22H2/b27-19-,28-20-
InChIKeyGBSDNPQTBNRNLT-RSSRHXQMSA-N
MW650.74 g/mol
LogP5.88
Rot. Bonds11

About (5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one

(5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one (PubChem CID 11193081) has the molecular formula C34H26N4O6S2 and a molecular weight of 650.74 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one
PubChem CID11193081
Molecular FormulaC34H26N4O6S2
Molecular Weight650.74 g/mol
Exact Mass650.13
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one
SMILESO=C(CSC1=N/C(=C\c2ccco2)C(=O)N1CCN1C(=O)/C(=C/c2ccco2)N=C1SCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26N4O6S2/c39-29(23-9-3-1-4-10-23)21-45-33-35-27(19-25-13-7-17-43-25)31(41)37(33)15-16-38-32(42)28(20-26-14-8-18-44-26)36-34(38)46-22-30(40)24-11-5-2-6-12-24/h1-14,17-20H,15-16,21-22H2/b27-19-,28-20-
InChIKeyGBSDNPQTBNRNLT-RSSRHXQMSA-N
XLogP5.88
TPSA125.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.74
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one with MolForge

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Related Compounds

(5Z)-2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)imidazol-4-one
CID 98418413
5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one
CID 3409383
N-(5-chloro-2-pyridinyl)-2-[4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanylacetamide
CID 1290564
(5E)-5-[(4-methoxyphenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one;hydrobromide
CID 22693836
(5Z)-5-(furan-2-ylmethylidene)-2,3-dimethyl-1-phenyl-1,2,4-triazin-6-one
CID 171977658
2-benzylsulfanyl-4-(furan-2-ylmethylidene)-1,3-thiazol-5-one
CID 891524
2-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanyl-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)imidazol-4-one
CID 4830552
(5Z)-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylimidazol-4-one
CID 8005122
2-[(4E)-1-(3-chloro-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanyl-N,N-diethylacetamide
CID 2607834
2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 6258761
2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 2607823
(5Z)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 125117914

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one (CID 11193081) is (5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one is O=C(CSC1=N/C(=C\c2ccco2)C(=O)N1CCN1C(=O)/C(=C/c2ccco2)N=C1SCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one?
The InChIKey is GBSDNPQTBNRNLT-RSSRHXQMSA-N. The full InChI is InChI=1S/C34H26N4O6S2/c39-29(23-9-3-1-4-10-23)21-45-33-35-27(19-25-13-7-17-43-25)31(41)37(33)15-16-38-32(42)28(20-26-14-8-18-44-26)36-34(38)46-22-30(40)24-11-5-2-6-12-24/h1-14,17-20H,15-16,21-22H2/b27-19-,28-20-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one?
(5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one has a molecular weight of 650.74 g/mol, XLogP of 5.88, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-3-[2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenacylsulfanylimidazol-1-yl]ethyl]-2-phenacylsulfanylimidazol-4-one is sourced from PubChem (CID 11193081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).