ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate

C73H67F9N10O11Pd — CID 161338128

About ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate

ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate (PubChem CID 161338128) has the molecular formula C73H67F9N10O11Pd and a molecular weight of 1537.80 g/mol. Its IUPAC name is ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate.

Molecular Properties

• Compound Name: ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate
• PubChem CID: 161338128
• Molecular Formula: C73H67F9N10O11Pd
• Molecular Weight: 1537.80 g/mol
• Exact Mass: 1536.39
• IUPAC Name: ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate
• SMILES: CCOC(=O)c1cnc(-c2cccc(-c3cc(C)ccc3O)n2)n1C(F)(F)F.CCOC(=O)c1cnc(-c2cccc(-c3cc(C)ccc3OCc3ccccc3)n2)n1C(F)(F)F.Cc1ccc(OCc2ccc3c(c2)CCN(C)C3)c(-c2cccc(-c3ncc(C(=O)O)n3C(F)(F)F)n2)c1.O.O.[Pd]
• InChI: InChI=1S/C28H25F3N4O3.C26H22F3N3O3.C19H16F3N3O3.2H2O.Pd/c1-17-6-9-25(38-16-18-7-8-20-15-34(2)11-10-19(20)13-18)21(12-17)22-4-3-5-23(33-22)26-32-14-24(27(36)37)35(26)28(29,30)31;1-3-34-25(33)22-15-30-24(32(22)26(27,28)29)21-11-7-10-20(31-21)19-14-17(2)12-13-23(19)35-16-18-8-5-4-6-9-18;1-3-28-18(27)15-10-23-17(25(15)19(20,21)22)14-6-4-5-13(24-14)12-9-11(2)7-8-16(12)26;;;/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,36,37);4-15H,3,16H2,1-2H3;4-10,26H,3H2,1-2H3;2*1H2
• InChIKey: KMSWKUIFFUVAQQ-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 286.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1537.80
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate?

The IUPAC name of ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate (CID 161338128) is ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate.

What is the SMILES notation for ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate?

The canonical SMILES for ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate is CCOC(=O)c1cnc(-c2cccc(-c3cc(C)ccc3O)n2)n1C(F)(F)F.CCOC(=O)c1cnc(-c2cccc(-c3cc(C)ccc3OCc3ccccc3)n2)n1C(F)(F)F.Cc1ccc(OCc2ccc3c(c2)CCN(C)C3)c(-c2cccc(-c3ncc(C(=O)O)n3C(F)(F)F)n2)c1.O.O.[Pd].

What is the InChIKey of ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate?

The InChIKey is KMSWKUIFFUVAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O3.C26H22F3N3O3.C19H16F3N3O3.2H2O.Pd/c1-17-6-9-25(38-16-18-7-8-20-15-34(2)11-10-19(20)13-18)21(12-17)22-4-3-5-23(33-22)26-32-14-24(27(36)37)35(26)28(29,30)31;1-3-34-25(33)22-15-30-24(32(22)26(27,28)29)21-11-7-10-20(31-21)19-14-17(2)12-13-23(19)35-16-18-8-5-4-6-9-18;1-3-28-18(27)15-10-23-17(25(15)19(20,21)22)14-6-4-5-13(24-14)12-9-11(2)7-8-16(12)26;;;/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,36,37);4-15H,3,16H2,1-2H3;4-10,26H,3H2,1-2H3;2*1H2;.

What are the key properties of ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate?

ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate has a molecular weight of 1537.80 g/mol, XLogP of 14.44, 17 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;ethyl 2-[6-(5-methyl-2-phenylmethoxyphenyl)-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylate;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;palladium;dihydrate is sourced from PubChem (CID 161338128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).