5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide

C26H35ClF3N3O5S — CID 146286505

About 5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide

5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide (PubChem CID 146286505) has the molecular formula C26H35ClF3N3O5S and a molecular weight of 594.10 g/mol. Its IUPAC name is 5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide
• PubChem CID: 146286505
• Molecular Formula: C26H35ClF3N3O5S
• Molecular Weight: 594.10 g/mol
• Exact Mass: 593.19
• IUPAC Name: 5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide
• SMILES: CCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CC(C)(C)C(F)(F)F)c(OC)c1
• InChI: InChI=1S/C26H35ClF3N3O5S/c1-6-20-32-21(23(34)31-15-25(35)11-9-18(10-12-25)39(5,36)37)22(27)33(20)17-8-7-16(19(13-17)38-4)14-24(2,3)26(28,29)30/h7-8,13,18,35H,6,9-12,14-15H2,1-5H3,(H,31,34)
• InChIKey: JABONLGHTDPXAW-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 110.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.10
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide (CID 146286505) is 5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide.

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

The canonical SMILES for 5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide is CCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CC(C)(C)C(F)(F)F)c(OC)c1.

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

The InChIKey is JABONLGHTDPXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClF3N3O5S/c1-6-20-32-21(23(34)31-15-25(35)11-9-18(10-12-25)39(5,36)37)22(27)33(20)17-8-7-16(19(13-17)38-4)14-24(2,3)26(28,29)30/h7-8,13,18,35H,6,9-12,14-15H2,1-5H3,(H,31,34).

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

5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide has a molecular weight of 594.10 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 146286505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).