potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate

C192H212F3KN32O35 — CID 159829829

IUPACpotassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
SMILESC1=CCC=CC1.CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)[C@H](C(=O)O)C1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)Cn2c(C)nc3ccccc32)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)OCc2ccccc2)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CNCCN2C(=O)Cn2c(C)nc3ccccc32)[nH]1.COc1nc2ccccc2cc1C(=O)CO.COc1nc2ccccc2cc1C(=O)COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1.O=C([O-])Cn1c(C(F)(F)F)nc2ccccc21.O=CC1CCOC1.[K+]
InChIInChI=1S/C32H35N7O4.C30H33N5O5.C30H33N3O8.C27H27N7O2.C22H27N5O3.C18H24N2O6.C12H11NO3.C10H7F3N2O2.C6H8.C5H8O2.K/c1-20-34-24-12-8-9-13-26(24)39(20)19-28(40)38-15-14-37(31(41)43-32(2,3)4)18-27(38)29-33-17-25(35-29)22-16-21-10-6-7-11-23(21)36-30(22)42-5;1-30(2,3)40-28(36)34-14-15-35(29(37)39-19-20-10-6-5-7-11-20)25(18-34)26-31-17-24(32-26)22-16-21-12-8-9-13-23(21)33-27(22)38-4;1-30(2,3)41-28(36)32-14-15-33(29(37)40-18-20-10-6-5-7-11-20)24(17-32)27(35)39-19-25(34)22-16-21-12-8-9-13-23(21)31-26(22)38-4;1-17-30-21-9-5-6-10-23(21)34(17)16-25(35)33-12-11-28-15-24(33)26-29-14-22(31-26)19-13-18-7-3-4-8-20(18)32-27(19)36-2;1-22(2,3)30-21(28)27-10-9-23-18(13-27)19-24-12-17(25-19)15-11-14-7-5-6-8-16(14)26-20(15)29-4;1-18(2,3)26-16(23)19-9-10-20(14(11-19)15(21)22)17(24)25-12-13-7-5-4-6-8-13;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;11-10(12,13)9-14-6-3-1-2-4-7(6)15(9)5-8(16)17;1-2-4-6-5-3-1;6-3-5-1-2-7-4-5;/h6-13,16-17,27H,14-15,18-19H2,1-5H3,(H,33,35);5-13,16-17,25H,14-15,18-19H2,1-4H3,(H,31,32);5-13,16,24H,14-15,17-19H2,1-4H3;3-10,13-14,24,28H,11-12,15-16H2,1-2H3,(H,29,31);5-8,11-12,18,23H,9-10,13H2,1-4H3,(H,24,25);4-8,14H,9-12H2,1-3H3,(H,21,22);2-6,14H,7H2,1H3;1-4H,5H2,(H,16,17);1-2,5-6H,3-4H2;3,5H,1-2,4H2;/q;;;;;;;;;;+1/p-1/t27-;25-;2*24-;18-;14-;;;;;/m000000...../s1
InChIKeyFYHHBAJGFSVAMG-RLJSKXABSA-M
MW3624.09 g/mol
LogP25.55
Rot. Bonds34

About potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate

potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate (PubChem CID 159829829) has the molecular formula C192H212F3KN32O35 and a molecular weight of 3624.09 g/mol. Its IUPAC name is potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namepotassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
PubChem CID159829829
Molecular FormulaC192H212F3KN32O35
Molecular Weight3624.09 g/mol
Exact Mass3621.54
IUPAC Namepotassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
SMILESC1=CCC=CC1.CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)[C@H](C(=O)O)C1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)Cn2c(C)nc3ccccc32)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)OCc2ccccc2)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CNCCN2C(=O)Cn2c(C)nc3ccccc32)[nH]1.COc1nc2ccccc2cc1C(=O)CO.COc1nc2ccccc2cc1C(=O)COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1.O=C([O-])Cn1c(C(F)(F)F)nc2ccccc21.O=CC1CCOC1.[K+]
InChIInChI=1S/C32H35N7O4.C30H33N5O5.C30H33N3O8.C27H27N7O2.C22H27N5O3.C18H24N2O6.C12H11NO3.C10H7F3N2O2.C6H8.C5H8O2.K/c1-20-34-24-12-8-9-13-26(24)39(20)19-28(40)38-15-14-37(31(41)43-32(2,3)4)18-27(38)29-33-17-25(35-29)22-16-21-10-6-7-11-23(21)36-30(22)42-5;1-30(2,3)40-28(36)34-14-15-35(29(37)39-19-20-10-6-5-7-11-20)25(18-34)26-31-17-24(32-26)22-16-21-12-8-9-13-23(21)33-27(22)38-4;1-30(2,3)41-28(36)32-14-15-33(29(37)40-18-20-10-6-5-7-11-20)24(17-32)27(35)39-19-25(34)22-16-21-12-8-9-13-23(21)31-26(22)38-4;1-17-30-21-9-5-6-10-23(21)34(17)16-25(35)33-12-11-28-15-24(33)26-29-14-22(31-26)19-13-18-7-3-4-8-20(18)32-27(19)36-2;1-22(2,3)30-21(28)27-10-9-23-18(13-27)19-24-12-17(25-19)15-11-14-7-5-6-8-16(14)26-20(15)29-4;1-18(2,3)26-16(23)19-9-10-20(14(11-19)15(21)22)17(24)25-12-13-7-5-4-6-8-13;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;11-10(12,13)9-14-6-3-1-2-4-7(6)15(9)5-8(16)17;1-2-4-6-5-3-1;6-3-5-1-2-7-4-5;/h6-13,16-17,27H,14-15,18-19H2,1-5H3,(H,33,35);5-13,16-17,25H,14-15,18-19H2,1-4H3,(H,31,32);5-13,16,24H,14-15,17-19H2,1-4H3;3-10,13-14,24,28H,11-12,15-16H2,1-2H3,(H,29,31);5-8,11-12,18,23H,9-10,13H2,1-4H3,(H,24,25);4-8,14H,9-12H2,1-3H3,(H,21,22);2-6,14H,7H2,1H3;1-4H,5H2,(H,16,17);1-2,5-6H,3-4H2;3,5H,1-2,4H2;/q;;;;;;;;;;+1/p-1/t27-;25-;2*24-;18-;14-;;;;;/m000000...../s1
InChIKeyFYHHBAJGFSVAMG-RLJSKXABSA-M
XLogP25.55
TPSA786.30 Ų
H-Bond Donors8
H-Bond Acceptors52
Rotatable Bonds34
Heavy Atoms263
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003624.09
LogP ≤ 525.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

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

Analyze potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The IUPAC name of potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate (CID 159829829) is potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The canonical SMILES for potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate is C1=CCC=CC1.CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)[C@H](C(=O)O)C1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)Cn2c(C)nc3ccccc32)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)OCc2ccccc2)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CNCCN2C(=O)Cn2c(C)nc3ccccc32)[nH]1.COc1nc2ccccc2cc1C(=O)CO.COc1nc2ccccc2cc1C(=O)COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1.O=C([O-])Cn1c(C(F)(F)F)nc2ccccc21.O=CC1CCOC1.[K+].
What is the InChIKey of potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The InChIKey is FYHHBAJGFSVAMG-RLJSKXABSA-M. The full InChI is InChI=1S/C32H35N7O4.C30H33N5O5.C30H33N3O8.C27H27N7O2.C22H27N5O3.C18H24N2O6.C12H11NO3.C10H7F3N2O2.C6H8.C5H8O2.K/c1-20-34-24-12-8-9-13-26(24)39(20)19-28(40)38-15-14-37(31(41)43-32(2,3)4)18-27(38)29-33-17-25(35-29)22-16-21-10-6-7-11-23(21)36-30(22)42-5;1-30(2,3)40-28(36)34-14-15-35(29(37)39-19-20-10-6-5-7-11-20)25(18-34)26-31-17-24(32-26)22-16-21-12-8-9-13-23(21)33-27(22)38-4;1-30(2,3)41-28(36)32-14-15-33(29(37)40-18-20-10-6-5-7-11-20)24(17-32)27(35)39-19-25(34)22-16-21-12-8-9-13-23(21)31-26(22)38-4;1-17-30-21-9-5-6-10-23(21)34(17)16-25(35)33-12-11-28-15-24(33)26-29-14-22(31-26)19-13-18-7-3-4-8-20(18)32-27(19)36-2;1-22(2,3)30-21(28)27-10-9-23-18(13-27)19-24-12-17(25-19)15-11-14-7-5-6-8-16(14)26-20(15)29-4;1-18(2,3)26-16(23)19-9-10-20(14(11-19)15(21)22)17(24)25-12-13-7-5-4-6-8-13;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;11-10(12,13)9-14-6-3-1-2-4-7(6)15(9)5-8(16)17;1-2-4-6-5-3-1;6-3-5-1-2-7-4-5;/h6-13,16-17,27H,14-15,18-19H2,1-5H3,(H,33,35);5-13,16-17,25H,14-15,18-19H2,1-4H3,(H,31,32);5-13,16,24H,14-15,17-19H2,1-4H3;3-10,13-14,24,28H,11-12,15-16H2,1-2H3,(H,29,31);5-8,11-12,18,23H,9-10,13H2,1-4H3,(H,24,25);4-8,14H,9-12H2,1-3H3,(H,21,22);2-6,14H,7H2,1H3;1-4H,5H2,(H,16,17);1-2,5-6H,3-4H2;3,5H,1-2,4H2;/q;;;;;;;;;;+1/p-1/t27-;25-;2*24-;18-;14-;;;;;/m000000...../s1.
What are the key properties of potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate has a molecular weight of 3624.09 g/mol, XLogP of 25.55, 34 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 159829829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).