ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate

C164H166N8O15 — CID 165089833

About ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate

ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate (PubChem CID 165089833) has the molecular formula C164H166N8O15 and a molecular weight of 2489.17 g/mol. Its IUPAC name is ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate.

Molecular Properties

• Compound Name: ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate
• PubChem CID: 165089833
• Molecular Formula: C164H166N8O15
• Molecular Weight: 2489.17 g/mol
• Exact Mass: 2487.25
• IUPAC Name: ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate
• SMILES: CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CCC2CCCCC2)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CCc2ccc(C)cc2)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CCc2ccccc2)cc1
• InChI: InChI=1S/C43H44N2O6.C41H40N2O3.C40H44N2O3.C40H38N2O3/c1-5-51-42(47)43(36-14-10-7-11-15-36)40(45(28-31-12-8-6-9-13-31)41(44-43)35-24-20-32(29-46)21-25-35)34-22-18-30(19-23-34)16-17-33-26-37(48-2)39(50-4)38(27-33)49-3;1-3-46-40(45)41(37-12-8-5-9-13-37)38(35-24-20-32(21-25-35)19-18-31-16-14-30(2)15-17-31)43(28-33-10-6-4-7-11-33)39(42-41)36-26-22-34(29-44)23-27-36;2*1-2-45-39(44)40(36-16-10-5-11-17-36)37(34-24-20-31(21-25-34)19-18-30-12-6-3-7-13-30)42(28-32-14-8-4-9-15-32)38(41-40)35-26-22-33(29-43)23-27-35/h6-15,18-27,40,46H,5,16-17,28-29H2,1-4H3;4-17,20-27,38,44H,3,18-19,28-29H2,1-2H3;4-5,8-11,14-17,20-27,30,37,43H,2-3,6-7,12-13,18-19,28-29H2,1H3;3-17,20-27,37,43H,2,18-19,28-29H2,1H3/t40-,43-;38-,41-;2*37-,40-/m1111/s1
• InChIKey: WMXLDAUVCWFRRC-DLGUVXPRSA-N
• XLogP: 30.77
• TPSA: 276.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 47
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2489.17
LogP ≤ 5	30.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate?

The IUPAC name of ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate (CID 165089833) is ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate.

What is the SMILES notation for ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate?

The canonical SMILES for ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate is CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CCC2CCCCC2)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CCc2ccc(C)cc2)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CCc2ccccc2)cc1.

What is the InChIKey of ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate?

The InChIKey is WMXLDAUVCWFRRC-DLGUVXPRSA-N. The full InChI is InChI=1S/C43H44N2O6.C41H40N2O3.C40H44N2O3.C40H38N2O3/c1-5-51-42(47)43(36-14-10-7-11-15-36)40(45(28-31-12-8-6-9-13-31)41(44-43)35-24-20-32(29-46)21-25-35)34-22-18-30(19-23-34)16-17-33-26-37(48-2)39(50-4)38(27-33)49-3;1-3-46-40(45)41(37-12-8-5-9-13-37)38(35-24-20-32(21-25-35)19-18-31-16-14-30(2)15-17-31)43(28-33-10-6-4-7-11-33)39(42-41)36-26-22-34(29-44)23-27-36;2*1-2-45-39(44)40(36-16-10-5-11-17-36)37(34-24-20-31(21-25-34)19-18-30-12-6-3-7-13-30)42(28-32-14-8-4-9-15-32)38(41-40)35-26-22-33(29-43)23-27-35/h6-15,18-27,40,46H,5,16-17,28-29H2,1-4H3;4-17,20-27,38,44H,3,18-19,28-29H2,1-2H3;4-5,8-11,14-17,20-27,30,37,43H,2-3,6-7,12-13,18-19,28-29H2,1H3;3-17,20-27,37,43H,2,18-19,28-29H2,1H3/t40-,43-;38-,41-;2*37-,40-/m1111/s1.

What are the key properties of ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate?

ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate has a molecular weight of 2489.17 g/mol, XLogP of 30.77, 47 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-4-[4-[2-(4-methylphenyl)ethyl]phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-(2-phenylethyl)phenyl]-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-4H-imidazole-5-carboxylate is sourced from PubChem (CID 165089833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).