2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide

C24H19N5O4S — CID 21215920

IUPAC2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1
InChIInChI=1S/C24H19N5O4S/c1-14-6-8-15(9-7-14)25-20(30)13-29-22(31)19(28-24(29)32)12-16-10-11-21(33-16)34-23-26-17-4-2-3-5-18(17)27-23/h2-12H,13H2,1H3,(H,25,30)(H,26,27)(H,28,32)/b19-12+
InChIKeyZKUFBNZLOJANSU-XDHOZWIPSA-N
MW473.51 g/mol
LogP4.15
Rot. Bonds6

About 2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide

2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 21215920) has the molecular formula C24H19N5O4S and a molecular weight of 473.51 g/mol. Its IUPAC name is 2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID21215920
Molecular FormulaC24H19N5O4S
Molecular Weight473.51 g/mol
Exact Mass473.12
IUPAC Name2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1
InChIInChI=1S/C24H19N5O4S/c1-14-6-8-15(9-7-14)25-20(30)13-29-22(31)19(28-24(29)32)12-16-10-11-21(33-16)34-23-26-17-4-2-3-5-18(17)27-23/h2-12H,13H2,1H3,(H,25,30)(H,26,27)(H,28,32)/b19-12+
InChIKeyZKUFBNZLOJANSU-XDHOZWIPSA-N
XLogP4.15
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-[4-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 3795061
(Z)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 21212311
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-(4-methylphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 19256101
2-[(4E)-4-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 2301163
2-chloro-4-[5-[(E)-[1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 126025418
4-methyl-3-[5-[[1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 5042735
(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]imidazolidin-4-one
CID 135207995
N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126229568
2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126029584
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carbaldehyde
CID 698427
N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126176122

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide (CID 21215920) is 2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1.
What is the InChIKey of 2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is ZKUFBNZLOJANSU-XDHOZWIPSA-N. The full InChI is InChI=1S/C24H19N5O4S/c1-14-6-8-15(9-7-14)25-20(30)13-29-22(31)19(28-24(29)32)12-16-10-11-21(33-16)34-23-26-17-4-2-3-5-18(17)27-23/h2-12H,13H2,1H3,(H,25,30)(H,26,27)(H,28,32)/b19-12+.
What are the key properties of 2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide?
2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 473.51 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 21215920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).