1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione

C28H14N2O4S — CID 6737986

About 1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione

1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione (PubChem CID 6737986) has the molecular formula C28H14N2O4S and a molecular weight of 474.50 g/mol. Its IUPAC name is 1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione.

Molecular Properties

• Compound Name: 1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione
• PubChem CID: 6737986
• Molecular Formula: C28H14N2O4S
• Molecular Weight: 474.50 g/mol
• Exact Mass: 474.07
• IUPAC Name: 1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione
• SMILES: O=C1c2ccccc2C(=O)c2c1cccc2-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
• InChI: InChI=1S/C28H14N2O4S/c31-25-16-6-1-2-7-17(16)26(32)24-18(8-5-9-19(24)25)22-13-12-15(34-22)14-23-27(33)30-21-11-4-3-10-20(21)29-28(30)35-23/h1-14H
• InChIKey: IOUDTOHLUMFKAX-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 81.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.50
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione?

The IUPAC name of 1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione (CID 6737986) is 1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione.

What is the SMILES notation for 1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione?

The canonical SMILES for 1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c1cccc2-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1.

What is the InChIKey of 1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione?

The InChIKey is IOUDTOHLUMFKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H14N2O4S/c31-25-16-6-1-2-7-17(16)26(32)24-18(8-5-9-19(24)25)22-13-12-15(34-22)14-23-27(33)30-21-11-4-3-10-20(21)29-28(30)35-23/h1-14H.

What are the key properties of 1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione?

1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione has a molecular weight of 474.50 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]anthracene-9,10-dione is sourced from PubChem (CID 6737986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).