N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

C26H33F3N4O2 — CID 58994955

About N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 58994955) has the molecular formula C26H33F3N4O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
• PubChem CID: 58994955
• Molecular Formula: C26H33F3N4O2
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.26
• IUPAC Name: N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
• SMILES: Cc1cnc(C(=O)Nc2ccc(C3(O)CCN(CC(F)(F)F)CC3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C26H33F3N4O2/c1-17-15-30-22(31-17)23(34)32-21-5-4-19(14-20(21)18-6-8-24(2,3)9-7-18)25(35)10-12-33(13-11-25)16-26(27,28)29/h4-6,14-15,35H,7-13,16H2,1-3H3,(H,30,31)(H,32,34)
• InChIKey: LFFYKAYNEKQHMB-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 81.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 58994955) is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(C3(O)CCN(CC(F)(F)F)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The InChIKey is LFFYKAYNEKQHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O2/c1-17-15-30-22(31-17)23(34)32-21-5-4-19(14-20(21)18-6-8-24(2,3)9-7-18)25(35)10-12-33(13-11-25)16-26(27,28)29/h4-6,14-15,35H,7-13,16H2,1-3H3,(H,30,31)(H,32,34).

What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 5.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 58994955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).