(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

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Related Compounds

2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3336449
ethyl 2-[2-oxo-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)indol-1-yl]acetate
CID 1051154
methyl 2-[2-oxo-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)indol-1-yl]acetate
CID 23912323
(2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1328067
(2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 680617
ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate
CID 25250706
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 17264726
(2Z)-2-[[1-(2-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124538123
2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3126656
(2E)-2-[(1Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)butan-2-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 6040449
6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 23823031
3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one
CID 162723176

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).