3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C18H12ClN3O2S — CID 4762707

IUPAC3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCn1c(C=C2SC(=O)N(c3ccc(Cl)cc3)C2=O)nc2ccccc21
InChIInChI=1S/C18H12ClN3O2S/c1-21-14-5-3-2-4-13(14)20-16(21)10-15-17(23)22(18(24)25-15)12-8-6-11(19)7-9-12/h2-10H,1H3
InChIKeyRYICJOYSGXDQBV-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.47
Rot. Bonds2

About 3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 4762707) has the molecular formula C18H12ClN3O2S and a molecular weight of 369.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID4762707
Molecular FormulaC18H12ClN3O2S
Molecular Weight369.83 g/mol
Exact Mass369.03
IUPAC Name3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCn1c(C=C2SC(=O)N(c3ccc(Cl)cc3)C2=O)nc2ccccc21
InChIInChI=1S/C18H12ClN3O2S/c1-21-14-5-3-2-4-13(14)20-16(21)10-15-17(23)22(18(24)25-15)12-8-6-11(19)7-9-12/h2-10H,1H3
InChIKeyRYICJOYSGXDQBV-UHFFFAOYSA-N
XLogP4.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3746545
4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 4762667
(5Z)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18840547
3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2860835
3-(4-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2861714
(5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840531
(5Z)-3-(4-chlorophenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840493
(5Z)-3-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6022754
(5E)-5-[[1-[(2S)-butan-2-yl]indol-3-yl]methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126200428
3-(4-chlorophenyl)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4185441
(5E)-3-(4-chlorophenyl)-5-(furan-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 126196318
(5Z)-3-(4-chlorophenyl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840496

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 4762707) is 3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cn1c(C=C2SC(=O)N(c3ccc(Cl)cc3)C2=O)nc2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is RYICJOYSGXDQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S/c1-21-14-5-3-2-4-13(14)20-16(21)10-15-17(23)22(18(24)25-15)12-8-6-11(19)7-9-12/h2-10H,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 369.83 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4762707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).