N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

C34H32N4O2 — CID 16980024

About N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16980024) has the molecular formula C34H32N4O2 and a molecular weight of 528.66 g/mol. Its IUPAC name is N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
• PubChem CID: 16980024
• Molecular Formula: C34H32N4O2
• Molecular Weight: 528.66 g/mol
• Exact Mass: 528.25
• IUPAC Name: N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
• SMILES: O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21
• InChI: InChI=1S/C34H32N4O2/c39-33(23-25-16-18-27(19-17-25)26-9-2-1-3-10-26)35-21-20-32-36-29-13-5-7-15-31(29)38(32)24-34(40)37-22-8-12-28-11-4-6-14-30(28)37/h1-7,9-11,13-19H,8,12,20-24H2,(H,35,39)
• InChIKey: JEQMSAWEXBDGBR-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.66
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?

The IUPAC name of N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (CID 16980024) is N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

What is the SMILES notation for N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?

The canonical SMILES for N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21.

What is the InChIKey of N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?

The InChIKey is JEQMSAWEXBDGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O2/c39-33(23-25-16-18-27(19-17-25)26-9-2-1-3-10-26)35-21-20-32-36-29-13-5-7-15-31(29)38(32)24-34(40)37-22-8-12-28-11-4-6-14-30(28)37/h1-7,9-11,13-19H,8,12,20-24H2,(H,35,39).

What are the key properties of N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?

N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 528.66 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16980024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).