(2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone

C20H15Cl2N3OS — CID 3002001

IUPAC(2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone
SMILESO=C(/C(=C1/SCCN1c1ccc(Cl)cc1)n1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N3OS/c21-15-3-1-14(2-4-15)19(26)18(24-10-9-23-13-24)20-25(11-12-27-20)17-7-5-16(22)6-8-17/h1-10,13H,11-12H2/b20-18-
InChIKeyFOMONQJVBTXCCC-ZZEZOPTASA-N
MW416.33 g/mol
LogP5.45
Rot. Bonds4

About (2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone

(2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone (PubChem CID 3002001) has the molecular formula C20H15Cl2N3OS and a molecular weight of 416.33 g/mol. Its IUPAC name is (2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name(2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone
PubChem CID3002001
Molecular FormulaC20H15Cl2N3OS
Molecular Weight416.33 g/mol
Exact Mass415.03
IUPAC Name(2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone
SMILESO=C(/C(=C1/SCCN1c1ccc(Cl)cc1)n1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N3OS/c21-15-3-1-14(2-4-15)19(26)18(24-10-9-23-13-24)20-25(11-12-27-20)17-7-5-16(22)6-8-17/h1-10,13H,11-12H2/b20-18-
InChIKeyFOMONQJVBTXCCC-ZZEZOPTASA-N
XLogP5.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.33
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone?
The IUPAC name of (2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone (CID 3002001) is (2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone.
What is the SMILES notation for (2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone?
The canonical SMILES for (2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone is O=C(/C(=C1/SCCN1c1ccc(Cl)cc1)n1ccnc1)c1ccc(Cl)cc1.
What is the InChIKey of (2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone?
The InChIKey is FOMONQJVBTXCCC-ZZEZOPTASA-N. The full InChI is InChI=1S/C20H15Cl2N3OS/c21-15-3-1-14(2-4-15)19(26)18(24-10-9-23-13-24)20-25(11-12-27-20)17-7-5-16(22)6-8-17/h1-10,13H,11-12H2/b20-18-.
What are the key properties of (2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone?
(2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone has a molecular weight of 416.33 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone is sourced from PubChem (CID 3002001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).