2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide

C29H29F2N5O2 — CID 171698591

About 2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide

2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 171698591) has the molecular formula C29H29F2N5O2 and a molecular weight of 517.58 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide
• PubChem CID: 171698591
• Molecular Formula: C29H29F2N5O2
• Molecular Weight: 517.58 g/mol
• Exact Mass: 517.23
• IUPAC Name: 2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide
• SMILES: CN(C)c1c(F)cc(C(=O)N2CCC(c3ccc(NC(=O)Cn4cnc5ccccc54)cc3)CC2)cc1F
• InChI: InChI=1S/C29H29F2N5O2/c1-34(2)28-23(30)15-21(16-24(28)31)29(38)35-13-11-20(12-14-35)19-7-9-22(10-8-19)33-27(37)17-36-18-32-25-5-3-4-6-26(25)36/h3-10,15-16,18,20H,11-14,17H2,1-2H3,(H,33,37)
• InChIKey: LPPXGUGJUZFTNQ-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.58
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide?

The IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide (CID 171698591) is 2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide.

What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide?

The canonical SMILES for 2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide is CN(C)c1c(F)cc(C(=O)N2CCC(c3ccc(NC(=O)Cn4cnc5ccccc54)cc3)CC2)cc1F.

What is the InChIKey of 2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide?

The InChIKey is LPPXGUGJUZFTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N5O2/c1-34(2)28-23(30)15-21(16-24(28)31)29(38)35-13-11-20(12-14-35)19-7-9-22(10-8-19)33-27(37)17-36-18-32-25-5-3-4-6-26(25)36/h3-10,15-16,18,20H,11-14,17H2,1-2H3,(H,33,37).

What are the key properties of 2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide?

2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 517.58 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 171698591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).