(2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C24H16Br2N2O2S — CID 124547775

About (2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 124547775) has the molecular formula C24H16Br2N2O2S and a molecular weight of 556.28 g/mol. Its IUPAC name is (2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

• Compound Name: (2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
• PubChem CID: 124547775
• Molecular Formula: C24H16Br2N2O2S
• Molecular Weight: 556.28 g/mol
• Exact Mass: 553.93
• IUPAC Name: (2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
• SMILES: Cc1cccc(COc2c(Br)cc(/C=c3\sc4nc5ccccc5n4c3=O)cc2Br)c1
• InChI: InChI=1S/C24H16Br2N2O2S/c1-14-5-4-6-15(9-14)13-30-22-17(25)10-16(11-18(22)26)12-21-23(29)28-20-8-3-2-7-19(20)27-24(28)31-21/h2-12H,13H2,1H3/b21-12-
• InChIKey: BUAXBGYLFJMSGX-MTJSOVHGSA-N
• XLogP: 5.87
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.28
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The IUPAC name of (2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 124547775) is (2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

What is the SMILES notation for (2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The canonical SMILES for (2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1cccc(COc2c(Br)cc(/C=c3\sc4nc5ccccc5n4c3=O)cc2Br)c1.

What is the InChIKey of (2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The InChIKey is BUAXBGYLFJMSGX-MTJSOVHGSA-N. The full InChI is InChI=1S/C24H16Br2N2O2S/c1-14-5-4-6-15(9-14)13-30-22-17(25)10-16(11-18(22)26)12-21-23(29)28-20-8-3-2-7-19(20)27-24(28)31-21/h2-12H,13H2,1H3/b21-12-.

What are the key properties of (2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

(2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 556.28 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 124547775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).