(2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile

C26H18N4O2S — CID 6270515

IUPAC(2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile
SMILESCOc1ccc(/C=c2\s/c(=C(/C#N)c3nc4ccccc4[nH]3)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C26H18N4O2S/c1-32-19-13-11-17(12-14-19)15-23-25(31)30(18-7-3-2-4-8-18)26(33-23)20(16-27)24-28-21-9-5-6-10-22(21)29-24/h2-15H,1H3,(H,28,29)/b23-15-,26-20-
InChIKeyVGPJRTKXRYICFW-XRMUUGKUSA-N
MW450.52 g/mol
LogP3.34
Rot. Bonds4

About (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile

(2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile (PubChem CID 6270515) has the molecular formula C26H18N4O2S and a molecular weight of 450.52 g/mol. Its IUPAC name is (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile.

Molecular Properties

Compound Name(2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile
PubChem CID6270515
Molecular FormulaC26H18N4O2S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name(2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile
SMILESCOc1ccc(/C=c2\s/c(=C(/C#N)c3nc4ccccc4[nH]3)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C26H18N4O2S/c1-32-19-13-11-17(12-14-19)15-23-25(31)30(18-7-3-2-4-8-18)26(33-23)20(16-27)24-28-21-9-5-6-10-22(21)29-24/h2-15H,1H3,(H,28,29)/b23-15-,26-20-
InChIKeyVGPJRTKXRYICFW-XRMUUGKUSA-N
XLogP3.34
TPSA83.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile with MolForge

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Related Compounds

(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 56969722
2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8652961
2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653272
(2Z)-2-cyano-2-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(3-methoxyphenyl)acetamide
CID 2019956
(2E)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
CID 2309051
2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 53242508
2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
CID 4991485
4-[(Z)-[(2Z)-2-(1-cyano-3,3-dimethyl-2-oxobutylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
CID 8653023
methyl 4-[(Z)-[(2Z)-2-(1-cyano-3,3-dimethyl-2-oxobutylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 2372099
(E)-2-(1H-benzimidazol-2-yl)-3-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]prop-2-enenitrile
CID 50858026
(2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 6389539
methyl 4-[[2-(1-cyano-2-oxo-2-phenylethylidene)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 5107677

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile?
The IUPAC name of (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile (CID 6270515) is (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile.
What is the SMILES notation for (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile?
The canonical SMILES for (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile is COc1ccc(/C=c2\s/c(=C(/C#N)c3nc4ccccc4[nH]3)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile?
The InChIKey is VGPJRTKXRYICFW-XRMUUGKUSA-N. The full InChI is InChI=1S/C26H18N4O2S/c1-32-19-13-11-17(12-14-19)15-23-25(31)30(18-7-3-2-4-8-18)26(33-23)20(16-27)24-28-21-9-5-6-10-22(21)29-24/h2-15H,1H3,(H,28,29)/b23-15-,26-20-.
What are the key properties of (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile?
(2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile has a molecular weight of 450.52 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile is sourced from PubChem (CID 6270515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).