N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide

C32H22N4O4 — CID 135429950

About N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide

N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide (PubChem CID 135429950) has the molecular formula C32H22N4O4 and a molecular weight of 526.55 g/mol. Its IUPAC name is N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide.

Molecular Properties

• Compound Name: N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide
• PubChem CID: 135429950
• Molecular Formula: C32H22N4O4
• Molecular Weight: 526.55 g/mol
• Exact Mass: 526.16
• IUPAC Name: N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide
• SMILES: CC(=O)Nc1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1
• InChI: InChI=1S/C32H22N4O4/c1-18(37)33-21-13-11-19(12-14-21)17-26(35-32(40)20-7-3-2-4-8-20)31-34-25-16-15-24-27(28(25)36-31)30(39)23-10-6-5-9-22(23)29(24)38/h2-17H,1H3,(H,33,37)(H,34,36)(H,35,40)/b26-17-
• InChIKey: OQDKQQIJHWYULB-ONUIUJJFSA-N
• XLogP: 5.22
• TPSA: 121.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.55
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide?

The IUPAC name of N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide (CID 135429950) is N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide.

What is the SMILES notation for N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide?

The canonical SMILES for N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide is CC(=O)Nc1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1.

What is the InChIKey of N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide?

The InChIKey is OQDKQQIJHWYULB-ONUIUJJFSA-N. The full InChI is InChI=1S/C32H22N4O4/c1-18(37)33-21-13-11-19(12-14-21)17-26(35-32(40)20-7-3-2-4-8-20)31-34-25-16-15-24-27(28(25)36-31)30(39)23-10-6-5-9-22(23)29(24)38/h2-17H,1H3,(H,33,37)(H,34,36)(H,35,40)/b26-17-.

What are the key properties of N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide?

N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide has a molecular weight of 526.55 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-2-(4-acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide is sourced from PubChem (CID 135429950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).