4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid

C24H26F3N5O3 — CID 72703440

About 4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid

4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid (PubChem CID 72703440) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid
• PubChem CID: 72703440
• Molecular Formula: C24H26F3N5O3
• Molecular Weight: 489.50 g/mol
• Exact Mass: 489.20
• IUPAC Name: 4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid
• SMILES: Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-n2cnc(C3(O)CCC(C(=O)O)C(C)(C)C3)c2)c1
• InChI: InChI=1S/C24H26F3N5O3/c1-14-8-15(30-21-28-7-5-18(31-21)24(25,26)27)10-16(9-14)32-11-19(29-13-32)23(35)6-4-17(20(33)34)22(2,3)12-23/h5,7-11,13,17,35H,4,6,12H2,1-3H3,(H,33,34)(H,28,30,31)
• InChIKey: ACZIGPJSBYJCAP-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 113.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.50
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid?

The IUPAC name of 4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid (CID 72703440) is 4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid?

The canonical SMILES for 4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-n2cnc(C3(O)CCC(C(=O)O)C(C)(C)C3)c2)c1.

What is the InChIKey of 4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid?

The InChIKey is ACZIGPJSBYJCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-14-8-15(30-21-28-7-5-18(31-21)24(25,26)27)10-16(9-14)32-11-19(29-13-32)23(35)6-4-17(20(33)34)22(2,3)12-23/h5,7-11,13,17,35H,4,6,12H2,1-3H3,(H,33,34)(H,28,30,31).

What are the key properties of 4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid?

4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid has a molecular weight of 489.50 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-2,2-dimethyl-4-[1-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 72703440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).