2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide

C26H36F3N3O2 — CID 153296409

About 2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide

2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide (PubChem CID 153296409) has the molecular formula C26H36F3N3O2 and a molecular weight of 479.59 g/mol. Its IUPAC name is 2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide
• PubChem CID: 153296409
• Molecular Formula: C26H36F3N3O2
• Molecular Weight: 479.59 g/mol
• Exact Mass: 479.28
• IUPAC Name: 2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide
• SMILES: CCc1nc(C(=O)NCC2CCC(C)CC2)c(C)n1-c1ccc(CC(C)C(F)(F)F)cc1OC
• InChI: InChI=1S/C26H36F3N3O2/c1-6-23-31-24(25(33)30-15-19-9-7-16(2)8-10-19)18(4)32(23)21-12-11-20(14-22(21)34-5)13-17(3)26(27,28)29/h11-12,14,16-17,19H,6-10,13,15H2,1-5H3,(H,30,33)
• InChIKey: LQMUFUSXVNSJGO-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.59
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide?

The IUPAC name of 2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide (CID 153296409) is 2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide.

What is the SMILES notation for 2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide?

The canonical SMILES for 2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide is CCc1nc(C(=O)NCC2CCC(C)CC2)c(C)n1-c1ccc(CC(C)C(F)(F)F)cc1OC.

What is the InChIKey of 2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide?

The InChIKey is LQMUFUSXVNSJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36F3N3O2/c1-6-23-31-24(25(33)30-15-19-9-7-16(2)8-10-19)18(4)32(23)21-12-11-20(14-22(21)34-5)13-17(3)26(27,28)29/h11-12,14,16-17,19H,6-10,13,15H2,1-5H3,(H,30,33).

What are the key properties of 2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide?

2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide has a molecular weight of 479.59 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 153296409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).