(2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C20H15N3OS — CID 25250704

IUPAC(2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCCN1/C(=c2/sc3nc4ccccc4n3c2=O)C=Cc2ccccc21
InChIInChI=1S/C20H15N3OS/c1-2-22-15-9-5-3-7-13(15)11-12-17(22)18-19(24)23-16-10-6-4-8-14(16)21-20(23)25-18/h3-12H,2H2,1H3/b18-17+
InChIKeyFEHHVXUBGXMYOT-ISLYRVAYSA-N
MW345.43 g/mol
LogP3.29
Rot. Bonds1

About (2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 25250704) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is (2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID25250704
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name(2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCCN1/C(=c2/sc3nc4ccccc4n3c2=O)C=Cc2ccccc21
InChIInChI=1S/C20H15N3OS/c1-2-22-15-9-5-3-7-13(15)11-12-17(22)18-19(24)23-16-10-6-4-8-14(16)21-20(23)25-18/h3-12H,2H2,1H3/b18-17+
InChIKeyFEHHVXUBGXMYOT-ISLYRVAYSA-N
XLogP3.29
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2E)-2-(1-ethylquinolin-2-ylidene)-[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 (2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 25250704) is (2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is CCN1/C(=c2/sc3nc4ccccc4n3c2=O)C=Cc2ccccc21.
What is the InChIKey of (2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is FEHHVXUBGXMYOT-ISLYRVAYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-2-22-15-9-5-3-7-13(15)11-12-17(22)18-19(24)23-16-10-6-4-8-14(16)21-20(23)25-18/h3-12H,2H2,1H3/b18-17+.
What are the key properties of (2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 345.43 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 25250704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).