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

C23H15FN2O2S — CID 2270861

IUPAC(2E)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C\c2cccc(OCc3ccccc3F)c2)sc2nc3ccccc3n12
InChIInChI=1S/C23H15FN2O2S/c24-18-9-2-1-7-16(18)14-28-17-8-5-6-15(12-17)13-21-22(27)26-20-11-4-3-10-19(20)25-23(26)29-21/h1-13H,14H2/b21-13+
InChIKeyMPSFAEWCTOQQRK-FYJGNVAPSA-N
MW402.45 g/mol
LogP4.18
Rot. Bonds4

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

(2E)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 2270861) has the molecular formula C23H15FN2O2S and a molecular weight of 402.45 g/mol. Its IUPAC name is (2E)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2E)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID2270861
Molecular FormulaC23H15FN2O2S
Molecular Weight402.45 g/mol
Exact Mass402.08
IUPAC Name(2E)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C\c2cccc(OCc3ccccc3F)c2)sc2nc3ccccc3n12
InChIInChI=1S/C23H15FN2O2S/c24-18-9-2-1-7-16(18)14-28-17-8-5-6-15(12-17)13-21-22(27)26-20-11-4-3-10-19(20)25-23(26)29-21/h1-13H,14H2/b21-13+
InChIKeyMPSFAEWCTOQQRK-FYJGNVAPSA-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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Related Compounds

2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1006631
ethane;(2Z)-2-[[3-(2-phenoxyethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 123140194
2-[[3-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2904113
(2Z)-2-[[3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 6264320
2-[[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3742907
(2Z)-2-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 5350780
2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2872335
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 23766527
2-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2869406
2-[[3,5-dichloro-4-(2-phenoxyethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2889460
2-[[2-methoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]methyl]benzonitrile
CID 1281273
2-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1277593

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2E)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 2270861) is (2E)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2E)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2E)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C\c2cccc(OCc3ccccc3F)c2)sc2nc3ccccc3n12.
What is the InChIKey of (2E)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is MPSFAEWCTOQQRK-FYJGNVAPSA-N. The full InChI is InChI=1S/C23H15FN2O2S/c24-18-9-2-1-7-16(18)14-28-17-8-5-6-15(12-17)13-21-22(27)26-20-11-4-3-10-19(20)25-23(26)29-21/h1-13H,14H2/b21-13+.
What are the key properties of (2E)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2E)-2-[[3-[(2-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 (2E)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 2270861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).