(5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C24H25N5O2S2 — CID 71548978

IUPAC(5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOCCN1CCN(c2ccc(-n3cnc4ccc(/C=C5\SC(=S)NC5=O)cc43)cc2)CC1
InChIInChI=1S/C24H25N5O2S2/c1-31-13-12-27-8-10-28(11-9-27)18-3-5-19(6-4-18)29-16-25-20-7-2-17(14-21(20)29)15-22-23(30)26-24(32)33-22/h2-7,14-16H,8-13H2,1H3,(H,26,30,32)/b22-15-
InChIKeyLGHRIQWRZMDMBA-JCMHNJIXSA-N
MW479.63 g/mol
LogP3.28
Rot. Bonds6

About (5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 71548978) has the molecular formula C24H25N5O2S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is (5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID71548978
Molecular FormulaC24H25N5O2S2
Molecular Weight479.63 g/mol
Exact Mass479.14
IUPAC Name(5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOCCN1CCN(c2ccc(-n3cnc4ccc(/C=C5\SC(=S)NC5=O)cc43)cc2)CC1
InChIInChI=1S/C24H25N5O2S2/c1-31-13-12-27-8-10-28(11-9-27)18-3-5-19(6-4-18)29-16-25-20-7-2-17(14-21(20)29)15-22-23(30)26-24(32)33-22/h2-7,14-16H,8-13H2,1H3,(H,26,30,32)/b22-15-
InChIKeyLGHRIQWRZMDMBA-JCMHNJIXSA-N
XLogP3.28
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[4-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568663
2-[4-(4-morpholinyl)benzylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
CID 2244222
(5E)-5-[[4-(benzimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 16386607
(E)-3-[4-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568503
2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2997865
2-(2-methylsulfanylbenzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 4883076
(5Z)-5-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 145987912
(5Z)-5-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 145991123
(5Z)-5-[[3-[4-(4-methylpiperazin-1-yl)phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 71548677
(5Z)-2-[(2R)-1-methoxy-4-methylpentan-2-yl]imino-5-[(3-methylbenzimidazol-5-yl)methylidene]imidazolidin-4-one
CID 168147347
(5Z)-2-[(2R)-1-methoxy-4-methylpentan-2-yl]imino-3-methyl-5-[(3-methylbenzimidazol-5-yl)methylidene]imidazolidin-4-one
CID 168147537
1-[2-(Dimethylamino)ethyl]-3-[4-[3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]phenyl]urea
CID 172210536

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 71548978) is (5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COCCN1CCN(c2ccc(-n3cnc4ccc(/C=C5\SC(=S)NC5=O)cc43)cc2)CC1.
What is the InChIKey of (5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is LGHRIQWRZMDMBA-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H25N5O2S2/c1-31-13-12-27-8-10-28(11-9-27)18-3-5-19(6-4-18)29-16-25-20-7-2-17(14-21(20)29)15-22-23(30)26-24(32)33-22/h2-7,14-16H,8-13H2,1H3,(H,26,30,32)/b22-15-.
What are the key properties of (5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 479.63 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzimidazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 71548978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).