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

C190H184N12O25S4 — CID 157284901

IUPACethyl (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
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)c2ccc(OC)cc2OC)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)c2ccccc2)cc1.[H]/N=C(\N)Cc1ccc([C@H]2N(Cc3ccccc3)C(c3ccc(CO)cc3)=N[C@]2(C(=O)OCC)c2ccccc2)cc1
InChIInChI=1S/C41H40N2O7S.C40H38N2O5S.C39H36N2O5S.C36H36N2O5S.C34H34N4O3/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;1-2-41-33(40)34(29-11-7-4-8-12-29)31(27-17-13-24(14-18-27)21-30(35)36)38(22-25-9-5-3-6-10-25)32(37-34)28-19-15-26(23-39)16-20-28/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;3-20,31,39H,2,21-23H2,1H3,(H3,35,36)/t38-,41-;37-,40-;36-,39-;33-,36-;31-,34-/m11111/s1
InChIKeyBACNBDWJLVZLFD-ITJHGXNCSA-N
MW3163.89 g/mol
LogP30.84
Rot. Bonds57

About 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

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 (PubChem CID 157284901) has the molecular formula C190H184N12O25S4 and a molecular weight of 3163.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl (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
PubChem CID157284901
Molecular FormulaC190H184N12O25S4
Molecular Weight3163.89 g/mol
Exact Mass3161.24
IUPAC Nameethyl (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
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)c2ccc(OC)cc2OC)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)c2ccccc2)cc1.[H]/N=C(\N)Cc1ccc([C@H]2N(Cc3ccccc3)C(c3ccc(CO)cc3)=N[C@]2(C(=O)OCC)c2ccccc2)cc1
InChIInChI=1S/C41H40N2O7S.C40H38N2O5S.C39H36N2O5S.C36H36N2O5S.C34H34N4O3/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;1-2-41-33(40)34(29-11-7-4-8-12-29)31(27-17-13-24(14-18-27)21-30(35)36)38(22-25-9-5-3-6-10-25)32(37-34)28-19-15-26(23-39)16-20-28/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;3-20,31,39H,2,21-23H2,1H3,(H3,35,36)/t38-,41-;37-,40-;36-,39-;33-,36-;31-,34-/m11111/s1
InChIKeyBACNBDWJLVZLFD-ITJHGXNCSA-N
XLogP30.84
TPSA515.54 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds57
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003163.89
LogP ≤ 530.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 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 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-[(2,4-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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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)c2ccc(OC)cc2OC)cc1.CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(CO)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(CS(=O)(=O)c2ccccc2)cc1.[H]/N=C(\N)Cc1ccc([C@H]2N(Cc3ccccc3)C(c3ccc(CO)cc3)=N[C@]2(C(=O)OCC)c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is BACNBDWJLVZLFD-ITJHGXNCSA-N. The full InChI is InChI=1S/C41H40N2O7S.C40H38N2O5S.C39H36N2O5S.C36H36N2O5S.C34H34N4O3/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;1-2-41-33(40)34(29-11-7-4-8-12-29)31(27-17-13-24(14-18-27)21-30(35)36)38(22-25-9-5-3-6-10-25)32(37-34)28-19-15-26(23-39)16-20-28/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;3-20,31,39H,2,21-23H2,1H3,(H3,35,36)/t38-,41-;37-,40-;36-,39-;33-,36-;31-,34-/m11111/s1.
What are the key properties of 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?
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 has a molecular weight of 3163.89 g/mol, XLogP of 30.84, 57 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157284901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).