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

C191H187N11O27S5 — CID 165082146

IUPACethyl (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
SMILESCCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)C2CC2)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)Cc2ccccc2)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)N(C)C)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)c2ccc(OC)cc2OC)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C41H40N2O7S.C40H38N2O5S.C39H36N2O5S.C36H36N2O5S.C35H37N3O5S/c1-4-50-40(45)41(34-13-9-6-10-14-34)38(43(26-29-11-7-5-8-12-29)39(42-41)33-21-15-30(27-44)16-22-33)32-19-17-31(18-20-32)28-51(46,47)37-24-23-35(48-2)25-36(37)49-3;1-2-47-39(44)40(36-16-10-5-11-17-36)37(34-22-20-33(21-23-34)29-48(45,46)28-32-14-8-4-9-15-32)42(26-30-12-6-3-7-13-30)38(41-40)35-24-18-31(27-43)19-25-35;1-2-46-38(43)39(34-14-8-4-9-15-34)36(32-22-20-31(21-23-32)28-47(44,45)35-16-10-5-11-17-35)41(26-29-12-6-3-7-13-29)37(40-39)33-24-18-30(27-42)19-25-33;1-2-43-35(40)36(31-11-7-4-8-12-31)33(29-17-15-28(16-18-29)25-44(41,42)32-21-22-32)38(23-26-9-5-3-6-10-26)34(37-36)30-19-13-27(24-39)14-20-30;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/h5-25,38,44H,4,26-28H2,1-3H3;3-25,37,43H,2,26-29H2,1H3;3-25,36,42H,2,26-28H2,1H3;3-20,32-33,39H,2,21-25H2,1H3;5-22,32,39H,4,23-25H2,1-3H3/t38-,41-;37-,40-;36-,39-;33-,36-;32-,35-/m11111/s1
InChIKeyVHJMHUYNACVETI-DVHDDQAFSA-N
MW3228.98 g/mol
LogP30.75
Rot. Bonds58

About 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

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 (PubChem CID 165082146) has the molecular formula C191H187N11O27S5 and a molecular weight of 3228.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl (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
PubChem CID165082146
Molecular FormulaC191H187N11O27S5
Molecular Weight3228.98 g/mol
Exact Mass3226.22
IUPAC Nameethyl (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
SMILESCCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)C2CC2)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)Cc2ccccc2)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)N(C)C)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)c2ccc(OC)cc2OC)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C41H40N2O7S.C40H38N2O5S.C39H36N2O5S.C36H36N2O5S.C35H37N3O5S/c1-4-50-40(45)41(34-13-9-6-10-14-34)38(43(26-29-11-7-5-8-12-29)39(42-41)33-21-15-30(27-44)16-22-33)32-19-17-31(18-20-32)28-51(46,47)37-24-23-35(48-2)25-36(37)49-3;1-2-47-39(44)40(36-16-10-5-11-17-36)37(34-22-20-33(21-23-34)29-48(45,46)28-32-14-8-4-9-15-32)42(26-30-12-6-3-7-13-30)38(41-40)35-24-18-31(27-43)19-25-35;1-2-46-38(43)39(34-14-8-4-9-15-34)36(32-22-20-31(21-23-32)28-47(44,45)35-16-10-5-11-17-35)41(26-29-12-6-3-7-13-29)37(40-39)33-24-18-30(27-42)19-25-33;1-2-43-35(40)36(31-11-7-4-8-12-31)33(29-17-15-28(16-18-29)25-44(41,42)32-21-22-32)38(23-26-9-5-3-6-10-26)34(37-36)30-19-13-27(24-39)14-20-30;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/h5-25,38,44H,4,26-28H2,1-3H3;3-25,37,43H,2,26-29H2,1H3;3-25,36,42H,2,26-28H2,1H3;3-20,32-33,39H,2,21-25H2,1H3;5-22,32,39H,4,23-25H2,1-3H3/t38-,41-;37-,40-;36-,39-;33-,36-;32-,35-/m11111/s1
InChIKeyVHJMHUYNACVETI-DVHDDQAFSA-N
XLogP30.75
TPSA503.05 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds58
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003228.98
LogP ≤ 530.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

ethyl (4R,5R)-4-[4-(2-amino-2-iminoethyl)phenyl]-3-benzyl-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate;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
CID 157284901
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
ethyl (4R,5R)-3-benzyl-4-[4-[(2,4-dimethoxyphenyl)sulfonylmethyl]phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate
CID 157284906

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)C2CC2)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)Cc2ccccc2)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)N(C)C)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)c2ccc(OC)cc2OC)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is VHJMHUYNACVETI-DVHDDQAFSA-N. The full InChI is InChI=1S/C41H40N2O7S.C40H38N2O5S.C39H36N2O5S.C36H36N2O5S.C35H37N3O5S/c1-4-50-40(45)41(34-13-9-6-10-14-34)38(43(26-29-11-7-5-8-12-29)39(42-41)33-21-15-30(27-44)16-22-33)32-19-17-31(18-20-32)28-51(46,47)37-24-23-35(48-2)25-36(37)49-3;1-2-47-39(44)40(36-16-10-5-11-17-36)37(34-22-20-33(21-23-34)29-48(45,46)28-32-14-8-4-9-15-32)42(26-30-12-6-3-7-13-30)38(41-40)35-24-18-31(27-43)19-25-35;1-2-46-38(43)39(34-14-8-4-9-15-34)36(32-22-20-31(21-23-32)28-47(44,45)35-16-10-5-11-17-35)41(26-29-12-6-3-7-13-29)37(40-39)33-24-18-30(27-42)19-25-33;1-2-43-35(40)36(31-11-7-4-8-12-31)33(29-17-15-28(16-18-29)25-44(41,42)32-21-22-32)38(23-26-9-5-3-6-10-26)34(37-36)30-19-13-27(24-39)14-20-30;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/h5-25,38,44H,4,26-28H2,1-3H3;3-25,37,43H,2,26-29H2,1H3;3-25,36,42H,2,26-28H2,1H3;3-20,32-33,39H,2,21-25H2,1H3;5-22,32,39H,4,23-25H2,1-3H3/t38-,41-;37-,40-;36-,39-;33-,36-;32-,35-/m11111/s1.
What are the key properties of 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?
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 has a molecular weight of 3228.98 g/mol, XLogP of 30.75, 58 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165082146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).