N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide

C29H31N5O2 — CID 125167750

About N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide

N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide (PubChem CID 125167750) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide
• PubChem CID: 125167750
• Molecular Formula: C29H31N5O2
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.25
• IUPAC Name: N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide
• SMILES: CCC(=O)Nc1cc(C(=O)N2CCCC[C@H]2c2ccccn2)c2c(c1)nc(Cc1ccccc1)n2C
• InChI: InChI=1S/C29H31N5O2/c1-3-27(35)31-21-18-22(29(36)34-16-10-8-14-25(34)23-13-7-9-15-30-23)28-24(19-21)32-26(33(28)2)17-20-11-5-4-6-12-20/h4-7,9,11-13,15,18-19,25H,3,8,10,14,16-17H2,1-2H3,(H,31,35)/t25-/m0/s1
• InChIKey: SXOOTRQMPUNANG-VWLOTQADSA-N
• XLogP: 5.28
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide?

The IUPAC name of N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide (CID 125167750) is N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide.

What is the SMILES notation for N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide?

The canonical SMILES for N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide is CCC(=O)Nc1cc(C(=O)N2CCCC[C@H]2c2ccccn2)c2c(c1)nc(Cc1ccccc1)n2C.

What is the InChIKey of N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide?

The InChIKey is SXOOTRQMPUNANG-VWLOTQADSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-3-27(35)31-21-18-22(29(36)34-16-10-8-14-25(34)23-13-7-9-15-30-23)28-24(19-21)32-26(33(28)2)17-20-11-5-4-6-12-20/h4-7,9,11-13,15,18-19,25H,3,8,10,14,16-17H2,1-2H3,(H,31,35)/t25-/m0/s1.

What are the key properties of N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide?

N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide has a molecular weight of 481.60 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide is sourced from PubChem (CID 125167750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).