N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide

C31H34N4O2 — CID 45370047

About N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide

N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide (PubChem CID 45370047) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide
• PubChem CID: 45370047
• Molecular Formula: C31H34N4O2
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.27
• IUPAC Name: N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide
• SMILES: CC(C)C(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
• InChI: InChI=1S/C31H34N4O2/c1-21(2)28(34-30(36)27(22-11-5-3-6-12-22)23-13-7-4-8-14-23)31(37)35-19-17-24(18-20-35)29-32-25-15-9-10-16-26(25)33-29/h3-16,21,24,27-28H,17-20H2,1-2H3,(H,32,33)(H,34,36)
• InChIKey: ONVYWEVADDVYTJ-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide?

The IUPAC name of N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide (CID 45370047) is N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide.

What is the SMILES notation for N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide?

The canonical SMILES for N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide is CC(C)C(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.

What is the InChIKey of N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide?

The InChIKey is ONVYWEVADDVYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-21(2)28(34-30(36)27(22-11-5-3-6-12-22)23-13-7-4-8-14-23)31(37)35-19-17-24(18-20-35)29-32-25-15-9-10-16-26(25)33-29/h3-16,21,24,27-28H,17-20H2,1-2H3,(H,32,33)(H,34,36).

What are the key properties of N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide?

N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide has a molecular weight of 494.64 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 45370047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).