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

C16H7Cl3N2O2S — CID 2904047

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

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Related Compounds

(2Z)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2065735
2-[(3-bromo-4-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1250170
(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 847974
2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3800682
2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3126656
(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 668008
2-chloro-5-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid
CID 5438498
2-[[3,5-dichloro-4-(2-phenoxyethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2889460
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3114589
(2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1102871
(2Z)-2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 6081085
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 23766527

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).