(2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C23H12Cl2I2N2O2S — CID 6141859

IUPAC(2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2cc(I)cc(I)c2OCc2ccc(Cl)cc2Cl)sc2nc3ccccc3n12
InChIInChI=1S/C23H12Cl2I2N2O2S/c24-14-6-5-12(16(25)9-14)11-31-21-13(7-15(26)10-17(21)27)8-20-22(30)29-19-4-2-1-3-18(19)28-23(29)32-20/h1-10H,11H2/b20-8-
InChIKeyCBTOPVXBXZYIJI-ZBKNUEDVSA-N
MW705.14 g/mol
LogP6.55
Rot. Bonds4

About (2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 6141859) has the molecular formula C23H12Cl2I2N2O2S and a molecular weight of 705.14 g/mol. Its IUPAC name is (2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID6141859
Molecular FormulaC23H12Cl2I2N2O2S
Molecular Weight705.14 g/mol
Exact Mass703.81
IUPAC Name(2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2cc(I)cc(I)c2OCc2ccc(Cl)cc2Cl)sc2nc3ccccc3n12
InChIInChI=1S/C23H12Cl2I2N2O2S/c24-14-6-5-12(16(25)9-14)11-31-21-13(7-15(26)10-17(21)27)8-20-22(30)29-19-4-2-1-3-18(19)28-23(29)32-20/h1-10H,11H2/b20-8-
InChIKeyCBTOPVXBXZYIJI-ZBKNUEDVSA-N
XLogP6.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.14
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 6141859) is (2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2cc(I)cc(I)c2OCc2ccc(Cl)cc2Cl)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is CBTOPVXBXZYIJI-ZBKNUEDVSA-N. The full InChI is InChI=1S/C23H12Cl2I2N2O2S/c24-14-6-5-12(16(25)9-14)11-31-21-13(7-15(26)10-17(21)27)8-20-22(30)29-19-4-2-1-3-18(19)28-23(29)32-20/h1-10H,11H2/b20-8-.
What are the key properties of (2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 705.14 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 6141859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).