5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile

C24H11N3O2S2 — CID 102471266

About 5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile

5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile (PubChem CID 102471266) has the molecular formula C24H11N3O2S2 and a molecular weight of 437.51 g/mol. Its IUPAC name is 5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
• PubChem CID: 102471266
• Molecular Formula: C24H11N3O2S2
• Molecular Weight: 437.51 g/mol
• Exact Mass: 437.03
• IUPAC Name: 5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
• SMILES: N#Cc1ccc(-c2ccc(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)s2)s1
• InChI: InChI=1S/C24H11N3O2S2/c25-11-12-5-8-17(30-12)18-9-10-19(31-18)24-26-16-7-6-15-20(21(16)27-24)23(29)14-4-2-1-3-13(14)22(15)28/h1-10H,(H,26,27)
• InChIKey: GHWSCYGGORTQAZ-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 86.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.51
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile?

The IUPAC name of 5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile (CID 102471266) is 5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile.

What is the SMILES notation for 5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile?

The canonical SMILES for 5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile is N#Cc1ccc(-c2ccc(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)s2)s1.

What is the InChIKey of 5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile?

The InChIKey is GHWSCYGGORTQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11N3O2S2/c25-11-12-5-8-17(30-12)18-9-10-19(31-18)24-26-16-7-6-15-20(21(16)27-24)23(29)14-4-2-1-3-13(14)22(15)28/h1-10H,(H,26,27).

What are the key properties of 5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile?

5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile has a molecular weight of 437.51 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 102471266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).