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

C23H15FN2O2S — CID 124585898

IUPAC(2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccccc2OCc2cccc(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/b21-13-
InChIKeyPJSSZUNBQKIMFM-BKUYFWCQSA-N
MW402.45 g/mol
LogP4.18
Rot. Bonds4

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

(2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 124585898) has the molecular formula C23H15FN2O2S and a molecular weight of 402.45 g/mol. Its IUPAC name is (2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID124585898
Molecular FormulaC23H15FN2O2S
Molecular Weight402.45 g/mol
Exact Mass402.08
IUPAC Name(2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccccc2OCc2cccc(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/b21-13-
InChIKeyPJSSZUNBQKIMFM-BKUYFWCQSA-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

Analyze (2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]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

Related Compounds

2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 23884567
3-[[2-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 23849767
(2Z)-2-[[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124603203
2-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2889151
(2Z)-2-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 684666
(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124536900
2-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2904609
3-[[5-bromo-2-methoxy-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 23733173
(2Z)-2-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 5350780
4-[[2-methoxy-6-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 126193612
2-[[2-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 23881470
2-[[3-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2904113

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 124585898) is (2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2ccccc2OCc2cccc(F)c2)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is PJSSZUNBQKIMFM-BKUYFWCQSA-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/b21-13-.
What are the key properties of (2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-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 (2Z)-2-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 124585898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).