(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione

C22H15FN4O3S — CID 126016840

IUPAC(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C22H15FN4O3S/c23-14-7-5-13(6-8-14)12-27-20(28)18(26-22(27)29)11-15-9-10-19(30-15)31-21-24-16-3-1-2-4-17(16)25-21/h1-11H,12H2,(H,24,25)(H,26,29)/b18-11+
InChIKeyBFRUNMHLPHWNQI-WOJGMQOQSA-N
MW434.45 g/mol
LogP4.54
Rot. Bonds5

About (5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione

(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126016840) has the molecular formula C22H15FN4O3S and a molecular weight of 434.45 g/mol. Its IUPAC name is (5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID126016840
Molecular FormulaC22H15FN4O3S
Molecular Weight434.45 g/mol
Exact Mass434.08
IUPAC Name(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C22H15FN4O3S/c23-14-7-5-13(6-8-14)12-27-20(28)18(26-22(27)29)11-15-9-10-19(30-15)31-21-24-16-3-1-2-4-17(16)25-21/h1-11H,12H2,(H,24,25)(H,26,29)/b18-11+
InChIKeyBFRUNMHLPHWNQI-WOJGMQOQSA-N
XLogP4.54
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 2187558
(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 2189117
5-{[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]methylene}-3-sec-butyl-1,3-thiazolidine-2,4-dione
CID 6151198
(5E)-5-{[5-(1H-benzimidazol-2-ylthio)-2-furyl]methylene}-3-isopropyl-1,3-thiazolidine-2,4-dione
CID 7326481
3-[5-(1H-benzimidazol-2-ylthio)-2-furyl]-2-phenylacrylonitrile
CID 875263
2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
CID 1242271
(2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 1250318
5-{[5-(1H-benzimidazol-2-ylthio)-2-furyl]methylene}-1-(2-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1338937
N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2087569
5-[(5-Benzimidazol-2-ylthio-2-furyl)methylene]-1,3-dihydropyrimidine-2,4,6-tri one
CID 2225582
(Z)-5-((5-((1H-benzo[d]imidazol-2-yl)thio)furan-2-yl)methylene)-3-isopropylthiazolidine-2,4-dione
CID 92976742
N-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanyl-3H-benzimidazol-5-yl]acetamide
CID 121395553

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 126016840) is (5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione is O=C1N/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of (5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is BFRUNMHLPHWNQI-WOJGMQOQSA-N. The full InChI is InChI=1S/C22H15FN4O3S/c23-14-7-5-13(6-8-14)12-27-20(28)18(26-22(27)29)11-15-9-10-19(30-15)31-21-24-16-3-1-2-4-17(16)25-21/h1-11H,12H2,(H,24,25)(H,26,29)/b18-11+.
What are the key properties of (5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 434.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126016840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).