Skip to content

2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C16H7Cl3N2O2S — CID 2904047

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1c(=Cc2c(Cl)cc(Cl)c(O)c2Cl)sc2nc3ccccc3n12
InChIInChI=1S/C16H7Cl3N2O2S/c17-8-6-9(18)14(22)13(19)7(8)5-12-15(23)21-11-4-2-1-3-10(11)20-16(21)24-12/h1-6,22H
InChIKeyKAHKCHVUDMTLRG-UHFFFAOYSA-N
MW397.67 g/mol
LogP4.12
Rot. Bonds1

About 2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 2904047) has the molecular formula C16H7Cl3N2O2S and a molecular weight of 397.67 g/mol. Its IUPAC name is 2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID2904047
Molecular FormulaC16H7Cl3N2O2S
Molecular Weight397.67 g/mol
Exact Mass395.93
IUPAC Name2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1c(=Cc2c(Cl)cc(Cl)c(O)c2Cl)sc2nc3ccccc3n12
InChIInChI=1S/C16H7Cl3N2O2S/c17-8-6-9(18)14(22)13(19)7(8)5-12-15(23)21-11-4-2-1-3-10(11)20-16(21)24-12/h1-6,22H
InChIKeyKAHKCHVUDMTLRG-UHFFFAOYSA-N
XLogP4.12
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.67
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2,4,6-trichloro-3-hydroxyphenyl)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-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 2904047) is 2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1c(=Cc2c(Cl)cc(Cl)c(O)c2Cl)sc2nc3ccccc3n12.
What is the InChIKey of 2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is KAHKCHVUDMTLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7Cl3N2O2S/c17-8-6-9(18)14(22)13(19)7(8)5-12-15(23)21-11-4-2-1-3-10(11)20-16(21)24-12/h1-6,22H.
What are the key properties of 2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 397.67 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 2904047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.