(2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C22H14BrFN2O2S — CID 2265273

About (2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 2265273) has the molecular formula C22H14BrFN2O2S and a molecular weight of 469.34 g/mol. Its IUPAC name is (2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

• Compound Name: (2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
• PubChem CID: 2265273
• Molecular Formula: C22H14BrFN2O2S
• Molecular Weight: 469.34 g/mol
• Exact Mass: 467.99
• IUPAC Name: (2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
• SMILES: Cc1cc2c(nc3s/c(=C\c4ccc(-c5ccc(F)cc5)o4)c(=O)n32)c(Br)c1C
• InChI: InChI=1S/C22H14BrFN2O2S/c1-11-9-16-20(19(23)12(11)2)25-22-26(16)21(27)18(29-22)10-15-7-8-17(28-15)13-3-5-14(24)6-4-13/h3-10H,1-2H3/b18-10-
• InChIKey: LSPXKDKYKYBQBO-ZDLGFXPLSA-N
• XLogP: 5.24
• TPSA: 47.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.34
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The IUPAC name of (2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 2265273) is (2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

What is the SMILES notation for (2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The canonical SMILES for (2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1cc2c(nc3s/c(=C\c4ccc(-c5ccc(F)cc5)o4)c(=O)n32)c(Br)c1C.

What is the InChIKey of (2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The InChIKey is LSPXKDKYKYBQBO-ZDLGFXPLSA-N. The full InChI is InChI=1S/C22H14BrFN2O2S/c1-11-9-16-20(19(23)12(11)2)25-22-26(16)21(27)18(29-22)10-15-7-8-17(28-15)13-3-5-14(24)6-4-13/h3-10H,1-2H3/b18-10-.

What are the key properties of (2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

(2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 469.34 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-5-bromo-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 2265273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).