4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide

C29H29FN4O3 — CID 70256660

About 4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide

4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide (PubChem CID 70256660) has the molecular formula C29H29FN4O3 and a molecular weight of 500.57 g/mol. Its IUPAC name is 4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide
• PubChem CID: 70256660
• Molecular Formula: C29H29FN4O3
• Molecular Weight: 500.57 g/mol
• Exact Mass: 500.22
• IUPAC Name: 4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide
• SMILES: NC(=O)c1ccc(Cn2c(=O)n(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)c3ccccc32)cc1
• InChI: InChI=1S/C29H29FN4O3/c30-24-11-9-21(10-12-24)27(35)22-13-15-32(16-14-22)17-18-33-25-3-1-2-4-26(25)34(29(33)37)19-20-5-7-23(8-6-20)28(31)36/h1-12,22H,13-19H2,(H2,31,36)
• InChIKey: PWXSBCOBPLYAKQ-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 90.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.57
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide?

The IUPAC name of 4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide (CID 70256660) is 4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide.

What is the SMILES notation for 4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide?

The canonical SMILES for 4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide is NC(=O)c1ccc(Cn2c(=O)n(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)c3ccccc32)cc1.

What is the InChIKey of 4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide?

The InChIKey is PWXSBCOBPLYAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O3/c30-24-11-9-21(10-12-24)27(35)22-13-15-32(16-14-22)17-18-33-25-3-1-2-4-26(25)34(29(33)37)19-20-5-7-23(8-6-20)28(31)36/h1-12,22H,13-19H2,(H2,31,36).

What are the key properties of 4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide?

4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide has a molecular weight of 500.57 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 70256660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).