N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide

C28H40F3N3O3 — CID 59837158

About N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide

N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide (PubChem CID 59837158) has the molecular formula C28H40F3N3O3 and a molecular weight of 523.64 g/mol. Its IUPAC name is N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide.

Molecular Properties

• Compound Name: N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide
• PubChem CID: 59837158
• Molecular Formula: C28H40F3N3O3
• Molecular Weight: 523.64 g/mol
• Exact Mass: 523.30
• IUPAC Name: N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide
• SMILES: CCCCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1nc(C(C)=O)c(C(F)(F)F)[nH]1
• InChI: InChI=1S/C28H40F3N3O3/c1-9-12-13-21(24(36)34-25-32-22(17(4)35)23(33-25)28(29,30)31)37-20-15-14-18(26(5,6)10-2)16-19(20)27(7,8)11-3/h14-16,21H,9-13H2,1-8H3,(H2,32,33,34,36)
• InChIKey: KYVCTEAMRIPQHC-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 84.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.64
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide?

The IUPAC name of N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide (CID 59837158) is N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide.

What is the SMILES notation for N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide?

The canonical SMILES for N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide is CCCCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1nc(C(C)=O)c(C(F)(F)F)[nH]1.

What is the InChIKey of N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide?

The InChIKey is KYVCTEAMRIPQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40F3N3O3/c1-9-12-13-21(24(36)34-25-32-22(17(4)35)23(33-25)28(29,30)31)37-20-15-14-18(26(5,6)10-2)16-19(20)27(7,8)11-3/h14-16,21H,9-13H2,1-8H3,(H2,32,33,34,36).

What are the key properties of N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide?

N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide has a molecular weight of 523.64 g/mol, XLogP of 7.58, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide is sourced from PubChem (CID 59837158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).