2-ethyl-5-fluoro-N-[(4-methylcyclohexyl)methyl]-1-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide

C26H35F4N3O2 — CID 153296376

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

2-ethyl-5-fluoro-N-[(4-methylcyclohexyl)methyl]-1-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide (PubChem CID 153296376) has the molecular formula C26H35F4N3O2 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-N-[(4-methylcyclohexyl)methyl]-1-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-5-fluoro-N-[(4-methylcyclohexyl)methyl]-1-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide
• PubChem CID: 153296376
• Molecular Formula: C26H35F4N3O2
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.29
• IUPAC Name: 2-ethyl-5-fluoro-N-[(4-methylcyclohexyl)methyl]-1-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide
• SMILES: [2H]C([2H])([2H])Oc1cc(CC(C)(C)C(F)(F)F)ccc1-n1c(CC)nc(C(=O)NCC2CCC(C)CC2)c1F
• InChI: InChI=1S/C26H35F4N3O2/c1-6-21-32-22(24(34)31-15-17-9-7-16(2)8-10-17)23(27)33(21)19-12-11-18(13-20(19)35-5)14-25(3,4)26(28,29)30/h11-13,16-17H,6-10,14-15H2,1-5H3,(H,31,34)/i5D3
• InChIKey: WBYBMBKNQGNZSL-VPYROQPTSA-N
• XLogP: 6.27
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-ethyl-5-fluoro-N-[(4-methylcyclohexyl)methyl]-1-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide (CID 153296376) is 2-ethyl-5-fluoro-N-[(4-methylcyclohexyl)methyl]-1-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide.

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

The canonical SMILES for 2-ethyl-5-fluoro-N-[(4-methylcyclohexyl)methyl]-1-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide is [2H]C([2H])([2H])Oc1cc(CC(C)(C)C(F)(F)F)ccc1-n1c(CC)nc(C(=O)NCC2CCC(C)CC2)c1F.

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

The InChIKey is WBYBMBKNQGNZSL-VPYROQPTSA-N. The full InChI is InChI=1S/C26H35F4N3O2/c1-6-21-32-22(24(34)31-15-17-9-7-16(2)8-10-17)23(27)33(21)19-12-11-18(13-20(19)35-5)14-25(3,4)26(28,29)30/h11-13,16-17H,6-10,14-15H2,1-5H3,(H,31,34)/i5D3.

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

2-ethyl-5-fluoro-N-[(4-methylcyclohexyl)methyl]-1-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide has a molecular weight of 500.60 g/mol, XLogP of 6.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5-fluoro-N-[(4-methylcyclohexyl)methyl]-1-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 153296376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).