2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C23H15FN2O2S — CID 23884567

IUPAC2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1c(=Cc2ccccc2OCc2cccc(F)c2)sc2nc3ccccc3n12
InChIInChI=1S/C23H15FN2O2S/c24-17-8-5-6-15(12-17)14-28-20-11-4-1-7-16(20)13-21-22(27)26-19-10-3-2-9-18(19)25-23(26)29-21/h1-13H,14H2
InChIKeyPJSSZUNBQKIMFM-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.18
Rot. Bonds4

About 2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 23884567) has the molecular formula C23H15FN2O2S and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID23884567
Molecular FormulaC23H15FN2O2S
Molecular Weight402.45 g/mol
Exact Mass402.08
IUPAC Name2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1c(=Cc2ccccc2OCc2cccc(F)c2)sc2nc3ccccc3n12
InChIInChI=1S/C23H15FN2O2S/c24-17-8-5-6-15(12-17)14-28-20-11-4-1-7-16(20)13-21-22(27)26-19-10-3-2-9-18(19)25-23(26)29-21/h1-13H,14H2
InChIKeyPJSSZUNBQKIMFM-UHFFFAOYSA-N
XLogP4.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 23884567) is 2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1c(=Cc2ccccc2OCc2cccc(F)c2)sc2nc3ccccc3n12.
What is the InChIKey of 2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is PJSSZUNBQKIMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2O2S/c24-17-8-5-6-15(12-17)14-28-20-11-4-1-7-16(20)13-21-22(27)26-19-10-3-2-9-18(19)25-23(26)29-21/h1-13H,14H2.
What are the key properties of 2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 402.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 23884567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).