2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate

C23H14ClN2O4S- — CID 7000497

About 2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate

2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate (PubChem CID 7000497) has the molecular formula C23H14ClN2O4S- and a molecular weight of 449.90 g/mol. Its IUPAC name is 2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate.

Molecular Properties

• Compound Name: 2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate
• PubChem CID: 7000497
• Molecular Formula: C23H14ClN2O4S-
• Molecular Weight: 449.90 g/mol
• Exact Mass: 449.04
• IUPAC Name: 2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate
• SMILES: Cc1cc2nc3sc(=Cc4ccc(-c5ccc(Cl)c(C(=O)[O-])c5)o4)c(=O)n3c2cc1C
• InChI: InChI=1S/C23H15ClN2O4S/c1-11-7-17-18(8-12(11)2)26-21(27)20(31-23(26)25-17)10-14-4-6-19(30-14)13-3-5-16(24)15(9-13)22(28)29/h3-10H,1-2H3,(H,28,29)/p-1
• InChIKey: YZJVXHBESZEGQF-UHFFFAOYSA-M
• XLogP: 3.35
• TPSA: 87.64 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.90
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate?

The IUPAC name of 2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate (CID 7000497) is 2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate.

What is the SMILES notation for 2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate?

The canonical SMILES for 2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate is Cc1cc2nc3sc(=Cc4ccc(-c5ccc(Cl)c(C(=O)[O-])c5)o4)c(=O)n3c2cc1C.

What is the InChIKey of 2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate?

The InChIKey is YZJVXHBESZEGQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H15ClN2O4S/c1-11-7-17-18(8-12(11)2)26-21(27)20(31-23(26)25-17)10-14-4-6-19(30-14)13-3-5-16(24)15(9-13)22(28)29/h3-10H,1-2H3,(H,28,29)/p-1.

What are the key properties of 2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate?

2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate has a molecular weight of 449.90 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate is sourced from PubChem (CID 7000497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).