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-4-[4-(dimethylsulfamoylmethyl)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;methane

C200H207N11O20S — CID 161468697

IUPACethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-4-[4-(dimethylsulfamoylmethyl)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;methane
SMILESC.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.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C43H44N2O6.C41H40N2O3.C40H44N2O3.C40H38N2O3.C35H37N3O5S.CH4/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;1-4-43-34(40)35(31-13-9-6-10-14-31)32(29-19-17-28(18-20-29)25-44(41,42)37(2)3)38(23-26-11-7-5-8-12-26)33(36-35)30-21-15-27(24-39)16-22-30;/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;5-22,32,39H,4,23-25H2,1-3H3;1H4/t40-,43-;38-,41-;2*37-,40-;32-,35-;/m11111./s1
InChIKeyWCTYYCICOFZZEL-KFAIOFAASA-N
MW3116.98 g/mol
LogP36.44
Rot. Bonds58

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-4-[4-(dimethylsulfamoylmethyl)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;methane

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-4-[4-(dimethylsulfamoylmethyl)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;methane (PubChem CID 161468697) has the molecular formula C200H207N11O20S and a molecular weight of 3116.98 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-4-[4-(dimethylsulfamoylmethyl)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;methane.

Molecular Properties

Compound Nameethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-4-[4-(dimethylsulfamoylmethyl)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;methane
PubChem CID161468697
Molecular FormulaC200H207N11O20S
Molecular Weight3116.98 g/mol
Exact Mass3114.52
IUPAC Nameethyl (4R,5R)-3-benzyl-4-[4-(2-cyclohexylethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-4-[4-(dimethylsulfamoylmethyl)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;methane
SMILESC.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.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C43H44N2O6.C41H40N2O3.C40H44N2O3.C40H38N2O3.C35H37N3O5S.CH4/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;1-4-43-34(40)35(31-13-9-6-10-14-31)32(29-19-17-28(18-20-29)25-44(41,42)37(2)3)38(23-26-11-7-5-8-12-26)33(36-35)30-21-15-27(24-39)16-22-30;/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;5-22,32,39H,4,23-25H2,1-3H3;1H4/t40-,43-;38-,41-;2*37-,40-;32-,35-;/m11111./s1
InChIKeyWCTYYCICOFZZEL-KFAIOFAASA-N
XLogP36.44
TPSA375.72 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds58
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003116.98
LogP ≤ 536.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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-4-[4-(dimethylsulfamoylmethyl)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;methane with MolForge

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Launch Full Analysis

Related Compounds

ethyl (4R,5R)-4-[4-(benzenesulfonylmethyl)phenyl]-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-4-[4-(benzylsulfonylmethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-4-[4-(cyclopropylsulfonylmethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-4-[4-[(2,4-dimethoxyphenyl)sulfonylmethyl]phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;ethyl (4R,5R)-3-benzyl-4-[4-(dimethylsulfamoylmethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate
CID 165082146
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
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 161468701

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-4-[4-(dimethylsulfamoylmethyl)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;methane?
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-4-[4-(dimethylsulfamoylmethyl)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;methane (CID 161468697) 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-4-[4-(dimethylsulfamoylmethyl)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;methane.
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-4-[4-(dimethylsulfamoylmethyl)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;methane?
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-4-[4-(dimethylsulfamoylmethyl)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;methane is C.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.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)N(C)C)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-4-[4-(dimethylsulfamoylmethyl)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;methane?
The InChIKey is WCTYYCICOFZZEL-KFAIOFAASA-N. The full InChI is InChI=1S/C43H44N2O6.C41H40N2O3.C40H44N2O3.C40H38N2O3.C35H37N3O5S.CH4/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;1-4-43-34(40)35(31-13-9-6-10-14-31)32(29-19-17-28(18-20-29)25-44(41,42)37(2)3)38(23-26-11-7-5-8-12-26)33(36-35)30-21-15-27(24-39)16-22-30;/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;5-22,32,39H,4,23-25H2,1-3H3;1H4/t40-,43-;38-,41-;2*37-,40-;32-,35-;/m11111./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-4-[4-(dimethylsulfamoylmethyl)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;methane?
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-4-[4-(dimethylsulfamoylmethyl)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;methane has a molecular weight of 3116.98 g/mol, XLogP of 36.44, 58 rotatable bonds, 5 hydrogen bond donors, and 30 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-4-[4-(dimethylsulfamoylmethyl)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;methane is sourced from PubChem (CID 161468697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).