(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C20H18N2O4S — CID 2276573

About (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 2276573) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

• Compound Name: (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
• PubChem CID: 2276573
• Molecular Formula: C20H18N2O4S
• Molecular Weight: 382.44 g/mol
• Exact Mass: 382.10
• IUPAC Name: (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
• SMILES: COc1cc(/C=c2\sc3nc4c(C)c(C)ccc4n3c2=O)cc(OC)c1O
• InChI: InChI=1S/C20H18N2O4S/c1-10-5-6-13-17(11(10)2)21-20-22(13)19(24)16(27-20)9-12-7-14(25-3)18(23)15(8-12)26-4/h5-9,23H,1-4H3/b16-9-
• InChIKey: WEMXAFLQUDLHTP-SXGWCWSVSA-N
• XLogP: 2.80
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.44
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The IUPAC name of (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 2276573) is (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

What is the SMILES notation for (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The canonical SMILES for (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is COc1cc(/C=c2\sc3nc4c(C)c(C)ccc4n3c2=O)cc(OC)c1O.

What is the InChIKey of (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The InChIKey is WEMXAFLQUDLHTP-SXGWCWSVSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-10-5-6-13-17(11(10)2)21-20-22(13)19(24)16(27-20)9-12-7-14(25-3)18(23)15(8-12)26-4/h5-9,23H,1-4H3/b16-9-.

What are the key properties of (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 382.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 2276573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).