N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone

C143H117Cl2F12N13O14 — CID 159671661

About N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone

N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 159671661) has the molecular formula C143H117Cl2F12N13O14 and a molecular weight of 2540.47 g/mol. Its IUPAC name is N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 159671661
• Molecular Formula: C143H117Cl2F12N13O14
• Molecular Weight: 2540.47 g/mol
• Exact Mass: 2537.80
• IUPAC Name: N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
• SMILES: CC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Cl)c(C(F)(F)F)c2)n3C)ccn1.CC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH]c3c2)ccn1.COc1cc(Cc2cncc(-c3cccc(NC(C)=O)c3)n2)cc(CO)c1CO.Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1CC(=O)c1ccccc1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1CC(=O)c1ccc2ncccc2c1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1CC(=O)c1ccccc1
• InChI: InChI=1S/C27H20F3NO2.C27H25NO2.C24H19F3O2.C22H16ClF3N4O2.C22H23N3O4.C21H14ClF3N4O2/c1-17-7-8-18(13-25(32)20-4-2-6-23(15-20)27(28,29)30)12-22(17)16-26(33)21-9-10-24-19(14-21)5-3-11-31-24;1-19-12-13-20(14-23(19)17-26(30)21-8-5-4-6-9-21)15-25(29)22-10-7-11-24(16-22)27(2,3)18-28;1-16-10-11-17(12-20(16)15-23(29)18-6-3-2-4-7-18)13-22(28)19-8-5-9-21(14-19)24(25,26)27;1-12(31)18-10-15(7-8-27-18)32-14-4-6-20-19(11-14)29-21(30(20)2)28-13-3-5-17(23)16(9-13)22(24,25)26;1-14(28)24-18-5-3-4-16(9-18)21-11-23-10-19(25-21)7-15-6-17(12-26)20(13-27)22(8-15)29-2;1-11(30)18-9-14(6-7-26-18)31-13-3-5-17-19(10-13)29-20(28-17)27-12-2-4-16(22)15(8-12)21(23,24)25/h2-12,14-15H,13,16H2,1H3;4-14,16H,15,17H2,1-3H3;2-12,14H,13,15H2,1H3;3-11H,1-2H3,(H,28,29);3-6,8-11,26-27H,7,12-13H2,1-2H3,(H,24,28);2-10H,1H3,(H2,27,28,29)
• InChIKey: MUBPVEXGMCJUAR-UHFFFAOYSA-N
• XLogP: 33.36
• TPSA: 392.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 36
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2540.47
LogP ≤ 5	33.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?

The IUPAC name of N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone (CID 159671661) is N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone.

What is the SMILES notation for N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?

The canonical SMILES for N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone is CC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Cl)c(C(F)(F)F)c2)n3C)ccn1.CC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH]c3c2)ccn1.COc1cc(Cc2cncc(-c3cccc(NC(C)=O)c3)n2)cc(CO)c1CO.Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1CC(=O)c1ccccc1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1CC(=O)c1ccc2ncccc2c1.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1CC(=O)c1ccccc1.

What is the InChIKey of N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?

The InChIKey is MUBPVEXGMCJUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3NO2.C27H25NO2.C24H19F3O2.C22H16ClF3N4O2.C22H23N3O4.C21H14ClF3N4O2/c1-17-7-8-18(13-25(32)20-4-2-6-23(15-20)27(28,29)30)12-22(17)16-26(33)21-9-10-24-19(14-21)5-3-11-31-24;1-19-12-13-20(14-23(19)17-26(30)21-8-5-4-6-9-21)15-25(29)22-10-7-11-24(16-22)27(2,3)18-28;1-16-10-11-17(12-20(16)15-23(29)18-6-3-2-4-7-18)13-22(28)19-8-5-9-21(14-19)24(25,26)27;1-12(31)18-10-15(7-8-27-18)32-14-4-6-20-19(11-14)29-21(30(20)2)28-13-3-5-17(23)16(9-13)22(24,25)26;1-14(28)24-18-5-3-4-16(9-18)21-11-23-10-19(25-21)7-15-6-17(12-26)20(13-27)22(8-15)29-2;1-11(30)18-9-14(6-7-26-18)31-13-3-5-17-19(10-13)29-20(28-17)27-12-2-4-16(22)15(8-12)21(23,24)25/h2-12,14-15H,13,16H2,1H3;4-14,16H,15,17H2,1-3H3;2-12,14H,13,15H2,1H3;3-11H,1-2H3,(H,28,29);3-6,8-11,26-27H,7,12-13H2,1-2H3,(H,24,28);2-10H,1H3,(H2,27,28,29).

What are the key properties of N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?

N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 2540.47 g/mol, XLogP of 33.36, 36 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]methyl]pyrazin-2-yl]phenyl]acetamide;1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone;1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]ethanone;2-methyl-2-[3-[2-(4-methyl-3-phenacylphenyl)acetyl]phenyl]propanenitrile;2-[4-methyl-3-(2-oxo-2-quinolin-6-ylethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-(4-methyl-3-phenacylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 159671661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).