(2Z)-2-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C20H17BrN2O3S — CID 124583117

About (2Z)-2-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 124583117) has the molecular formula C20H17BrN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is (2Z)-2-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

• Compound Name: (2Z)-2-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
• PubChem CID: 124583117
• Molecular Formula: C20H17BrN2O3S
• Molecular Weight: 445.34 g/mol
• Exact Mass: 444.01
• IUPAC Name: (2Z)-2-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
• SMILES: COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OC(C)C
• InChI: InChI=1S/C20H17BrN2O3S/c1-11(2)26-17-10-13(21)12(8-16(17)25-3)9-18-19(24)23-15-7-5-4-6-14(15)22-20(23)27-18/h4-11H,1-3H3/b18-9-
• InChIKey: SQYBFSDLXWVLPQ-NVMNQCDNSA-N
• XLogP: 4.02
• TPSA: 52.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.34
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2Z)-2-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 124583117) is (2Z)-2-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

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

The canonical SMILES for (2Z)-2-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OC(C)C.

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

The InChIKey is SQYBFSDLXWVLPQ-NVMNQCDNSA-N. The full InChI is InChI=1S/C20H17BrN2O3S/c1-11(2)26-17-10-13(21)12(8-16(17)25-3)9-18-19(24)23-15-7-5-4-6-14(15)22-20(23)27-18/h4-11H,1-3H3/b18-9-.

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

(2Z)-2-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 445.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 124583117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).