N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid

C30H31F3N4O4 — CID 53300649

About N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 53300649) has the molecular formula C30H31F3N4O4 and a molecular weight of 568.60 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 53300649
• Molecular Formula: C30H31F3N4O4
• Molecular Weight: 568.60 g/mol
• Exact Mass: 568.23
• IUPAC Name: N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C28H30N4O2.C2HF3O2/c33-27(26(21-9-3-1-4-10-21)22-11-5-2-6-12-22)29-17-20-31-18-15-23(16-19-31)32-25-14-8-7-13-24(25)30-28(32)34;3-2(4,5)1(6)7/h1-14,23,26H,15-20H2,(H,29,33)(H,30,34);(H,6,7)
• InChIKey: SNBOQBBVUKCUMB-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 107.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.60
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid (CID 53300649) is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid is O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid?

The InChIKey is SNBOQBBVUKCUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2.C2HF3O2/c33-27(26(21-9-3-1-4-10-21)22-11-5-2-6-12-22)29-17-20-31-18-15-23(16-19-31)32-25-14-8-7-13-24(25)30-28(32)34;3-2(4,5)1(6)7/h1-14,23,26H,15-20H2,(H,29,33)(H,30,34);(H,6,7).

What are the key properties of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid?

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 568.60 g/mol, XLogP of 4.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,2-diphenylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53300649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).