(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one

C15H12N4O2S — CID 135207995

IUPAC(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one
SMILESO=C1NCN/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C15H12N4O2S/c20-14-12(16-8-17-14)7-9-5-6-13(21-9)22-15-18-10-3-1-2-4-11(10)19-15/h1-7,16H,8H2,(H,17,20)(H,18,19)/b12-7-
InChIKeyAQFWHBHWGCOEQM-GHXNOFRVSA-N
MW312.35 g/mol
LogP2.32
Rot. Bonds3

About (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one

(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one (PubChem CID 135207995) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one
PubChem CID135207995
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one
SMILESO=C1NCN/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C15H12N4O2S/c20-14-12(16-8-17-14)7-9-5-6-13(21-9)22-15-18-10-3-1-2-4-11(10)19-15/h1-7,16H,8H2,(H,17,20)(H,18,19)/b12-7-
InChIKeyAQFWHBHWGCOEQM-GHXNOFRVSA-N
XLogP2.32
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carbaldehyde
CID 698427
(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135696917
5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135399015
2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 21215920
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid
CID 62206739
(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
CID 126138071
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane
CID 145098806
N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide
CID 126189660
N-(2-anilinoethyl)-2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 135207988
N-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3525797
(Z)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 21212311
5-(1H-benzimidazol-2-ylsulfanyl)-N-phenylfuran-2-carboxamide
CID 121395569

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one (CID 135207995) is (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one is O=C1NCN/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1.
What is the InChIKey of (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one?
The InChIKey is AQFWHBHWGCOEQM-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H12N4O2S/c20-14-12(16-8-17-14)7-9-5-6-13(21-9)22-15-18-10-3-1-2-4-11(10)19-15/h1-7,16H,8H2,(H,17,20)(H,18,19)/b12-7-.
What are the key properties of (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one?
(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one has a molecular weight of 312.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one is sourced from PubChem (CID 135207995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).