N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

C33H40N4O2 — CID 16980010

About N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16980010) has the molecular formula C33H40N4O2 and a molecular weight of 524.71 g/mol. Its IUPAC name is N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
• PubChem CID: 16980010
• Molecular Formula: C33H40N4O2
• Molecular Weight: 524.71 g/mol
• Exact Mass: 524.32
• IUPAC Name: N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
• SMILES: CC(C)CN(CC(C)C)C(=O)Cn1c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
• InChI: InChI=1S/C33H40N4O2/c1-24(2)21-36(22-25(3)4)33(39)23-37-30-13-9-8-12-29(30)35-31(37)18-19-34-32(38)20-26-14-16-28(17-15-26)27-10-6-5-7-11-27/h5-17,24-25H,18-23H2,1-4H3,(H,34,38)
• InChIKey: WWKOWACDIJKERG-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.71
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (CID 16980010) is N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

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

The canonical SMILES for N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is CC(C)CN(CC(C)C)C(=O)Cn1c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.

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

The InChIKey is WWKOWACDIJKERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O2/c1-24(2)21-36(22-25(3)4)33(39)23-37-30-13-9-8-12-29(30)35-31(37)18-19-34-32(38)20-26-14-16-28(17-15-26)27-10-6-5-7-11-27/h5-17,24-25H,18-23H2,1-4H3,(H,34,38).

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

N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 524.71 g/mol, XLogP of 5.75, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16980010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).