tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole

C199H212N30O11 — CID 158252851

IUPACtert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole
SMILESCC(C)C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4cc(-c5ccc6c(c5)N=C([C@@H]5CCCN5C(=O)[C@H](C)c5ccccc5)C6)ccc4c3)cc2[nH]1.CC(C)C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4cc(-c5ccc6c(c5)N=C([C@@H]5CCCN5C(=O)[C@H](C)c5ccccc5)C6)cnc4c3)cc2[nH]1.CN(C)[C@@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(COc3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)C)[nH]4)cc3)cc2)C1)c1ccccc1.CN1CCC[C@H]1c1ncc(-c2ccc(OCc3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1.c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1COc1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1
InChIInChI=1S/C48H53N7O3.C46H45N5O2.C45H44N6O2.C33H40N6O3.C27H30N6O/c1-52(2)44(36-13-7-5-8-14-36)47(56)54-27-11-17-42(54)40-29-38(30-49-40)34-21-19-33(20-22-34)32-58-39-25-23-35(24-26-39)41-31-50-46(51-41)43-18-12-28-55(43)48(57)45(53(3)4)37-15-9-6-10-16-37;1-28(2)45(52)51-22-8-12-43(51)44-48-38-20-19-36(26-40(38)49-44)34-16-14-31-23-33(15-13-32(31)24-34)35-17-18-37-27-41(47-39(37)25-35)42-11-7-21-50(42)46(53)29(3)30-9-5-4-6-10-30;1-27(2)44(52)51-20-8-12-42(51)43-48-36-18-17-31(24-39(36)49-43)30-13-15-33-21-35(26-46-37(33)22-30)32-14-16-34-25-40(47-38(34)23-32)41-11-7-19-50(41)45(53)28(3)29-9-5-4-6-10-29;1-33(2,3)42-32(40)39-18-6-8-29(39)31-35-20-26(37-31)23-11-9-22(10-12-23)21-41-25-15-13-24(14-16-25)27-19-34-30(36-27)28-7-5-17-38(28)4;1-3-22(28-13-1)26-30-15-24(32-26)19-7-5-18(6-8-19)17-34-21-11-9-20(10-12-21)25-16-31-27(33-25)23-4-2-14-29-23/h5-10,13-16,19-26,30-31,42-45H,11-12,17-18,27-29,32H2,1-4H3,(H,50,51);4-6,9-10,13-20,23-26,28-29,42-43H,7-8,11-12,21-22,27H2,1-3H3,(H,48,49);4-6,9-10,13-18,21-24,26-28,41-42H,7-8,11-12,19-20,25H2,1-3H3,(H,48,49);9-16,19-20,28-29H,5-8,17-18,21H2,1-4H3,(H,34,36)(H,35,37);5-12,15-16,22-23,28-29H,1-4,13-14,17H2,(H,30,32)(H,31,33)/t42-,43-,44+,45+;29-,42+,43+;28-,41+,42+;28-,29-;22-,23-/m01100/s1
InChIKeyGGXRHRNMIMAYNM-UCIRSFLSSA-N
MW3200.08 g/mol
LogP38.86
Rot. Bonds41

About tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole

tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole (PubChem CID 158252851) has the molecular formula C199H212N30O11 and a molecular weight of 3200.08 g/mol. Its IUPAC name is tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Nametert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole
PubChem CID158252851
Molecular FormulaC199H212N30O11
Molecular Weight3200.08 g/mol
Exact Mass3197.70
IUPAC Nametert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole
SMILESCC(C)C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4cc(-c5ccc6c(c5)N=C([C@@H]5CCCN5C(=O)[C@H](C)c5ccccc5)C6)ccc4c3)cc2[nH]1.CC(C)C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4cc(-c5ccc6c(c5)N=C([C@@H]5CCCN5C(=O)[C@H](C)c5ccccc5)C6)cnc4c3)cc2[nH]1.CN(C)[C@@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(COc3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)C)[nH]4)cc3)cc2)C1)c1ccccc1.CN1CCC[C@H]1c1ncc(-c2ccc(OCc3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1.c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1COc1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1
InChIInChI=1S/C48H53N7O3.C46H45N5O2.C45H44N6O2.C33H40N6O3.C27H30N6O/c1-52(2)44(36-13-7-5-8-14-36)47(56)54-27-11-17-42(54)40-29-38(30-49-40)34-21-19-33(20-22-34)32-58-39-25-23-35(24-26-39)41-31-50-46(51-41)43-18-12-28-55(43)48(57)45(53(3)4)37-15-9-6-10-16-37;1-28(2)45(52)51-22-8-12-43(51)44-48-38-20-19-36(26-40(38)49-44)34-16-14-31-23-33(15-13-32(31)24-34)35-17-18-37-27-41(47-39(37)25-35)42-11-7-21-50(42)46(53)29(3)30-9-5-4-6-10-30;1-27(2)44(52)51-20-8-12-42(51)43-48-36-18-17-31(24-39(36)49-43)30-13-15-33-21-35(26-46-37(33)22-30)32-14-16-34-25-40(47-38(34)23-32)41-11-7-19-50(41)45(53)28(3)29-9-5-4-6-10-29;1-33(2,3)42-32(40)39-18-6-8-29(39)31-35-20-26(37-31)23-11-9-22(10-12-23)21-41-25-15-13-24(14-16-25)27-19-34-30(36-27)28-7-5-17-38(28)4;1-3-22(28-13-1)26-30-15-24(32-26)19-7-5-18(6-8-19)17-34-21-11-9-20(10-12-21)25-16-31-27(33-25)23-4-2-14-29-23/h5-10,13-16,19-26,30-31,42-45H,11-12,17-18,27-29,32H2,1-4H3,(H,50,51);4-6,9-10,13-20,23-26,28-29,42-43H,7-8,11-12,21-22,27H2,1-3H3,(H,48,49);4-6,9-10,13-18,21-24,26-28,41-42H,7-8,11-12,19-20,25H2,1-3H3,(H,48,49);9-16,19-20,28-29H,5-8,17-18,21H2,1-4H3,(H,34,36)(H,35,37);5-12,15-16,22-23,28-29H,1-4,13-14,17H2,(H,30,32)(H,31,33)/t42-,43-,44+,45+;29-,42+,43+;28-,41+,42+;28-,29-;22-,23-/m01100/s1
InChIKeyGGXRHRNMIMAYNM-UCIRSFLSSA-N
XLogP38.86
TPSA463.60 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds41
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003200.08
LogP ≤ 538.86
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole?
The IUPAC name of tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole (CID 158252851) is tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole.
What is the SMILES notation for tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole?
The canonical SMILES for tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole is CC(C)C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4cc(-c5ccc6c(c5)N=C([C@@H]5CCCN5C(=O)[C@H](C)c5ccccc5)C6)ccc4c3)cc2[nH]1.CC(C)C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4cc(-c5ccc6c(c5)N=C([C@@H]5CCCN5C(=O)[C@H](C)c5ccccc5)C6)cnc4c3)cc2[nH]1.CN(C)[C@@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(COc3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)C)[nH]4)cc3)cc2)C1)c1ccccc1.CN1CCC[C@H]1c1ncc(-c2ccc(OCc3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1.c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1COc1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1.
What is the InChIKey of tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole?
The InChIKey is GGXRHRNMIMAYNM-UCIRSFLSSA-N. The full InChI is InChI=1S/C48H53N7O3.C46H45N5O2.C45H44N6O2.C33H40N6O3.C27H30N6O/c1-52(2)44(36-13-7-5-8-14-36)47(56)54-27-11-17-42(54)40-29-38(30-49-40)34-21-19-33(20-22-34)32-58-39-25-23-35(24-26-39)41-31-50-46(51-41)43-18-12-28-55(43)48(57)45(53(3)4)37-15-9-6-10-16-37;1-28(2)45(52)51-22-8-12-43(51)44-48-38-20-19-36(26-40(38)49-44)34-16-14-31-23-33(15-13-32(31)24-34)35-17-18-37-27-41(47-39(37)25-35)42-11-7-21-50(42)46(53)29(3)30-9-5-4-6-10-30;1-27(2)44(52)51-20-8-12-42(51)43-48-36-18-17-31(24-39(36)49-43)30-13-15-33-21-35(26-46-37(33)22-30)32-14-16-34-25-40(47-38(34)23-32)41-11-7-19-50(41)45(53)28(3)29-9-5-4-6-10-29;1-33(2,3)42-32(40)39-18-6-8-29(39)31-35-20-26(37-31)23-11-9-22(10-12-23)21-41-25-15-13-24(14-16-25)27-19-34-30(36-27)28-7-5-17-38(28)4;1-3-22(28-13-1)26-30-15-24(32-26)19-7-5-18(6-8-19)17-34-21-11-9-20(10-12-21)25-16-31-27(33-25)23-4-2-14-29-23/h5-10,13-16,19-26,30-31,42-45H,11-12,17-18,27-29,32H2,1-4H3,(H,50,51);4-6,9-10,13-20,23-26,28-29,42-43H,7-8,11-12,21-22,27H2,1-3H3,(H,48,49);4-6,9-10,13-18,21-24,26-28,41-42H,7-8,11-12,19-20,25H2,1-3H3,(H,48,49);9-16,19-20,28-29H,5-8,17-18,21H2,1-4H3,(H,34,36)(H,35,37);5-12,15-16,22-23,28-29H,1-4,13-14,17H2,(H,30,32)(H,31,33)/t42-,43-,44+,45+;29-,42+,43+;28-,41+,42+;28-,29-;22-,23-/m01100/s1.
What are the key properties of tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole?
tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole has a molecular weight of 3200.08 g/mol, XLogP of 38.86, 41 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[5-[4-[[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole is sourced from PubChem (CID 158252851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).