N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide

C32H30N4O2 — CID 16971531

About N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide

N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16971531) has the molecular formula C32H30N4O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
• PubChem CID: 16971531
• Molecular Formula: C32H30N4O2
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.24
• IUPAC Name: N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
• SMILES: CN(Cc1ccccc1)C(=O)Cn1c(CNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
• InChI: InChI=1S/C32H30N4O2/c1-35(22-25-10-4-2-5-11-25)32(38)23-36-29-15-9-8-14-28(29)34-30(36)21-33-31(37)20-24-16-18-27(19-17-24)26-12-6-3-7-13-26/h2-19H,20-23H2,1H3,(H,33,37)
• InChIKey: ZVAGDSIXEVSJJI-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide?

The IUPAC name of N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide (CID 16971531) is N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide.

What is the SMILES notation for N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide?

The canonical SMILES for N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide is CN(Cc1ccccc1)C(=O)Cn1c(CNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.

What is the InChIKey of N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide?

The InChIKey is ZVAGDSIXEVSJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2/c1-35(22-25-10-4-2-5-11-25)32(38)23-36-29-15-9-8-14-28(29)34-30(36)21-33-31(37)20-24-16-18-27(19-17-24)26-12-6-3-7-13-26/h2-19H,20-23H2,1H3,(H,33,37).

What are the key properties of N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide?

N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 502.62 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16971531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).