2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C20H15N3OS — CID 2920073

IUPAC2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCCc1cccc2c(C=c3sc4nc5ccccc5n4c3=O)c[nH]c12
InChIInChI=1S/C20H15N3OS/c1-2-12-6-5-7-14-13(11-21-18(12)14)10-17-19(24)23-16-9-4-3-8-15(16)22-20(23)25-17/h3-11,21H,2H2,1H3
InChIKeyJDUCWEFFQMUEDO-UHFFFAOYSA-N
MW345.43 g/mol
LogP3.50
Rot. Bonds2

About 2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 2920073) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID2920073
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCCc1cccc2c(C=c3sc4nc5ccccc5n4c3=O)c[nH]c12
InChIInChI=1S/C20H15N3OS/c1-2-12-6-5-7-14-13(11-21-18(12)14)10-17-19(24)23-16-9-4-3-8-15(16)22-20(23)25-17/h3-11,21H,2H2,1H3
InChIKeyJDUCWEFFQMUEDO-UHFFFAOYSA-N
XLogP3.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(7-ethyl-1H-indol-3-yl)methylidene]-[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 2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 2920073) is 2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is CCc1cccc2c(C=c3sc4nc5ccccc5n4c3=O)c[nH]c12.
What is the InChIKey of 2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is JDUCWEFFQMUEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-2-12-6-5-7-14-13(11-21-18(12)14)10-17-19(24)23-16-9-4-3-8-15(16)22-20(23)25-17/h3-11,21H,2H2,1H3.
What are the key properties of 2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 345.43 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 2920073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).