1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide

C25H32F5N3O2 — CID 153296369

About 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide

1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide (PubChem CID 153296369) has the molecular formula C25H32F5N3O2 and a molecular weight of 501.54 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide
• PubChem CID: 153296369
• Molecular Formula: C25H32F5N3O2
• Molecular Weight: 501.54 g/mol
• Exact Mass: 501.24
• IUPAC Name: 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide
• SMILES: Cc1nc(C(=O)NCC2CCC(C)CC2)cn1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F
• InChI: InChI=1S/C25H32F5N3O2/c1-15-5-7-17(8-6-15)13-31-22(34)19-14-33(16(2)32-19)20-10-9-18(11-21(20)35-23(26)27)12-24(3,4)25(28,29)30/h9-11,14-15,17,23H,5-8,12-13H2,1-4H3,(H,31,34)
• InChIKey: IWLLIGZJIOFHOQ-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.54
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide?

The IUPAC name of 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide (CID 153296369) is 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide.

What is the SMILES notation for 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide?

The canonical SMILES for 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide is Cc1nc(C(=O)NCC2CCC(C)CC2)cn1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F.

What is the InChIKey of 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide?

The InChIKey is IWLLIGZJIOFHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F5N3O2/c1-15-5-7-17(8-6-15)13-31-22(34)19-14-33(16(2)32-19)20-10-9-18(11-21(20)35-23(26)27)12-24(3,4)25(28,29)30/h9-11,14-15,17,23H,5-8,12-13H2,1-4H3,(H,31,34).

What are the key properties of 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide?

1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide has a molecular weight of 501.54 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 153296369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).