4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one

C168H177Cl2F4N11O25S — CID 161174460

About 4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one

4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one (PubChem CID 161174460) has the molecular formula C168H177Cl2F4N11O25S and a molecular weight of 2929.28 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one
• PubChem CID: 161174460
• Molecular Formula: C168H177Cl2F4N11O25S
• Molecular Weight: 2929.28 g/mol
• Exact Mass: 2926.20
• IUPAC Name: 4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one
• SMILES: CCOc1ccc(C(=O)CCC(C)(O)c2nc(-c3ccc(C)c(Cl)c3)c(C)n2C)cc1OC.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1-c1cccnc1.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1-c1ccncc1.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1N1CCCC1=O.COc1cc(C(=O)CCC(C)(O)c2nc(-c3ccc(C)c(Cl)c3)c(C)n2C)ccc1OCCF.COc1ccc(C(=O)CCC(OC)c2cccc(-c3csc4c(C)cccc34)n2)cc1OC
• InChI: InChI=1S/2C30H29FN2O4.C29H31FN2O5.C27H27NO4S.C26H30ClFN2O4.C26H31ClN2O4/c1-19-17-22(6-8-24(19)31)29-26(36-3)9-10-28(33-29)30(2,35)14-11-25(34)21-5-7-23(27(18-21)37-4)20-12-15-32-16-13-20;1-19-16-21(8-10-24(19)31)29-26(36-3)11-12-28(33-29)30(2,35)14-13-25(34)20-7-9-23(27(17-20)37-4)22-6-5-15-32-18-22;1-18-16-20(7-9-21(18)30)28-24(36-3)11-12-26(31-28)29(2,35)14-13-23(33)19-8-10-22(25(17-19)37-4)32-15-5-6-27(32)34;1-17-7-5-8-19-20(16-33-27(17)19)21-9-6-10-22(28-21)24(30-2)14-12-23(29)18-11-13-25(31-3)26(15-18)32-4;1-16-6-7-19(14-20(16)27)24-17(2)30(4)25(29-24)26(3,32)11-10-21(31)18-8-9-22(34-13-12-28)23(15-18)33-5;1-7-33-22-11-10-18(15-23(22)32-6)21(30)12-13-26(4,31)25-28-24(17(3)29(25)5)19-9-8-16(2)20(27)14-19/h5-10,12-13,15-18,35H,11,14H2,1-4H3;5-12,15-18,35H,13-14H2,1-4H3;7-12,16-17,35H,5-6,13-15H2,1-4H3;5-11,13,15-16,24H,12,14H2,1-4H3;6-9,14-15,32H,10-13H2,1-5H3;8-11,14-15,31H,7,12-13H2,1-6H3
• InChIKey: URPRIIQXQYPHLY-UHFFFAOYSA-N
• XLogP: 35.36
• TPSA: 456.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 55
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2929.28
LogP ≤ 5	35.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one?

The IUPAC name of 4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one (CID 161174460) is 4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one.

What is the SMILES notation for 4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one?

The canonical SMILES for 4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one is CCOc1ccc(C(=O)CCC(C)(O)c2nc(-c3ccc(C)c(Cl)c3)c(C)n2C)cc1OC.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1-c1cccnc1.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1-c1ccncc1.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1N1CCCC1=O.COc1cc(C(=O)CCC(C)(O)c2nc(-c3ccc(C)c(Cl)c3)c(C)n2C)ccc1OCCF.COc1ccc(C(=O)CCC(OC)c2cccc(-c3csc4c(C)cccc34)n2)cc1OC.

What is the InChIKey of 4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one?

The InChIKey is URPRIIQXQYPHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H29FN2O4.C29H31FN2O5.C27H27NO4S.C26H30ClFN2O4.C26H31ClN2O4/c1-19-17-22(6-8-24(19)31)29-26(36-3)9-10-28(33-29)30(2,35)14-11-25(34)21-5-7-23(27(18-21)37-4)20-12-15-32-16-13-20;1-19-16-21(8-10-24(19)31)29-26(36-3)11-12-28(33-29)30(2,35)14-13-25(34)20-7-9-23(27(17-20)37-4)22-6-5-15-32-18-22;1-18-16-20(7-9-21(18)30)28-24(36-3)11-12-26(31-28)29(2,35)14-13-23(33)19-8-10-22(25(17-19)37-4)32-15-5-6-27(32)34;1-17-7-5-8-19-20(16-33-27(17)19)21-9-6-10-22(28-21)24(30-2)14-12-23(29)18-11-13-25(31-3)26(15-18)32-4;1-16-6-7-19(14-20(16)27)24-17(2)30(4)25(29-24)26(3,32)11-10-21(31)18-8-9-22(34-13-12-28)23(15-18)33-5;1-7-33-22-11-10-18(15-23(22)32-6)21(30)12-13-26(4,31)25-28-24(17(3)29(25)5)19-9-8-16(2)20(27)14-19/h5-10,12-13,15-18,35H,11,14H2,1-4H3;5-12,15-18,35H,13-14H2,1-4H3;7-12,16-17,35H,5-6,13-15H2,1-4H3;5-11,13,15-16,24H,12,14H2,1-4H3;6-9,14-15,32H,10-13H2,1-5H3;8-11,14-15,31H,7,12-13H2,1-6H3.

What are the key properties of 4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one?

4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one has a molecular weight of 2929.28 g/mol, XLogP of 35.36, 55 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one is sourced from PubChem (CID 161174460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).