(5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one

C24H24ClN5O2S — CID 135490073

IUPAC(5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc2ncn(CCCN3CCOCC3)c2c1
InChIInChI=1S/C24H24ClN5O2S/c25-18-4-1-2-5-19(18)27-24-28-23(31)22(33-24)15-17-6-7-20-21(14-17)30(16-26-20)9-3-8-29-10-12-32-13-11-29/h1-2,4-7,14-16H,3,8-13H2,(H,27,28,31)/b22-15+
InChIKeyFGFIZJWHDNEVJQ-PXLXIMEGSA-N
MW482.01 g/mol
LogP4.30
Rot. Bonds6

About (5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one

(5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135490073) has the molecular formula C24H24ClN5O2S and a molecular weight of 482.01 g/mol. Its IUPAC name is (5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID135490073
Molecular FormulaC24H24ClN5O2S
Molecular Weight482.01 g/mol
Exact Mass481.13
IUPAC Name(5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc2ncn(CCCN3CCOCC3)c2c1
InChIInChI=1S/C24H24ClN5O2S/c25-18-4-1-2-5-19(18)27-24-28-23(31)22(33-24)15-17-6-7-20-21(14-17)30(16-26-20)9-3-8-29-10-12-32-13-11-29/h1-2,4-7,14-16H,3,8-13H2,(H,27,28,31)/b22-15+
InChIKeyFGFIZJWHDNEVJQ-PXLXIMEGSA-N
XLogP4.30
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.01
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)imino-5-[[3-(2-cyclopropylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one
CID 136592093
(5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one
CID 135445213
5-[[3-(cyclopropylmethyl)benzimidazol-5-yl]methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136500404
5-[[3-[2-(dimethylamino)ethyl]benzimidazol-5-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 136660220
(5E)-5-[(2-tert-butyl-3-methylbenzimidazol-5-yl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135437817
2-(2-chlorophenyl)imino-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135531809
(5E)-2-(2-chlorophenyl)imino-5-[[3-[2-(dimethylamino)ethyl]benzotriazol-5-yl]methylidene]-1,3-thiazolidin-4-one
CID 135512565
N-[4-chloro-3-[[4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-morpholin-4-ylacetamide
CID 136659537
(5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135745028
(5Z)-2-(2-chlorophenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171983322
4-[(E)-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135628013
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one (CID 135490073) is (5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc2ncn(CCCN3CCOCC3)c2c1.
What is the InChIKey of (5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is FGFIZJWHDNEVJQ-PXLXIMEGSA-N. The full InChI is InChI=1S/C24H24ClN5O2S/c25-18-4-1-2-5-19(18)27-24-28-23(31)22(33-24)15-17-6-7-20-21(14-17)30(16-26-20)9-3-8-29-10-12-32-13-11-29/h1-2,4-7,14-16H,3,8-13H2,(H,27,28,31)/b22-15+.
What are the key properties of (5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 482.01 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2-chlorophenyl)imino-5-[[3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135490073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).