(5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C19H15N3O3S — CID 10570845

IUPAC(5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCn3cnc4ccccc43)cc2)S1
InChIInChI=1S/C19H15N3O3S/c23-18-17(26-19(24)21-18)11-13-5-7-14(8-6-13)25-10-9-22-12-20-15-3-1-2-4-16(15)22/h1-8,11-12H,9-10H2,(H,21,23,24)/b17-11-
InChIKeyQNRUQJZMMQIAGF-BOPFTXTBSA-N
MW365.41 g/mol
LogP3.44
Rot. Bonds5

About (5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 10570845) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is (5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID10570845
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name(5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCn3cnc4ccccc43)cc2)S1
InChIInChI=1S/C19H15N3O3S/c23-18-17(26-19(24)21-18)11-13-5-7-14(8-6-13)25-10-9-22-12-20-15-3-1-2-4-16(15)22/h1-8,11-12H,9-10H2,(H,21,23,24)/b17-11-
InChIKeyQNRUQJZMMQIAGF-BOPFTXTBSA-N
XLogP3.44
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 10570845) is (5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCCn3cnc4ccccc43)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QNRUQJZMMQIAGF-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H15N3O3S/c23-18-17(26-19(24)21-18)11-13-5-7-14(8-6-13)25-10-9-22-12-20-15-3-1-2-4-16(15)22/h1-8,11-12H,9-10H2,(H,21,23,24)/b17-11-.
What are the key properties of (5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 365.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10570845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).