N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

C29H30ClFN4O — CID 25116781

About N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25116781) has the molecular formula C29H30ClFN4O and a molecular weight of 505.04 g/mol. Its IUPAC name is N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
• PubChem CID: 25116781
• Molecular Formula: C29H30ClFN4O
• Molecular Weight: 505.04 g/mol
• Exact Mass: 504.21
• IUPAC Name: N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(F)cc4)nc4ccc(Cl)cc43)CC2)c1
• InChI: InChI=1S/C29H30ClFN4O/c1-20(36)32-26-5-2-4-23(18-26)21-12-16-34(17-13-21)14-3-15-35-28-19-24(30)8-11-27(28)33-29(35)22-6-9-25(31)10-7-22/h2,4-11,18-19,21H,3,12-17H2,1H3,(H,32,36)
• InChIKey: QEOWSDGGHBHDHY-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.04
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The IUPAC name of N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 25116781) is N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(F)cc4)nc4ccc(Cl)cc43)CC2)c1.

What is the InChIKey of N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The InChIKey is QEOWSDGGHBHDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClFN4O/c1-20(36)32-26-5-2-4-23(18-26)21-12-16-34(17-13-21)14-3-15-35-28-19-24(30)8-11-27(28)33-29(35)22-6-9-25(31)10-7-22/h2,4-11,18-19,21H,3,12-17H2,1H3,(H,32,36).

What are the key properties of N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?

N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 505.04 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25116781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).