[2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine

C282H234F86N52O18 — CID 158604251

IUPAC[2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine
SMILESC1=C(c2ccncc2)CC(c2cccc(C3=CC=C(c4ccncc4)C3)c2)=C1.C1=C(c2ccnnc2)C=C(c2cccc(C3=CC=C(c4ccnnc4)C3)c2)C1.CCCCC(CC)C(=O)Oc1ccc(-c2cc(-c3cccc(-c4c[nH]c(-c5ccc(OC(=O)C(CC)CCCC)cc5)c4)c3)c[nH]2)cc1.CCOC(=O)Oc1ccc(-c2ncc(-c3cccc(-c4cnc(-c5ccc(OC(=O)OCC)cc5)[nH]4)c3)[nH]2)cc1.CCOC(=O)Oc1ccccc1-c1cnc(-c2cccc(-c3ncc(-c4ccccc4OC(=O)OCC)[nH]3)c2)[nH]1.Cc1ccc(-c2ncc(-c3cccc(-c4cnc(-c5ccc(C)o5)[nH]4)c3)[nH]2)o1.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.c1cc(-c2cc(-c3cncnc3)c[nH]2)cc(-c2cc(-c3cncnc3)c[nH]2)c1.c1cc(-c2cnc(-c3cnccn3)[nH]2)cc(-c2cnc(-c3cnccn3)[nH]2)c1.c1ccc(-c2ncc(-c3cccc(-c4cnc(-c5ccccn5)[nH]4)c3)[nH]2)nc1.c1cnc(-c2cc(-c3cccc(-c4c[nH]c(-c5ncccn5)c4)c3)c[nH]2)nc1.c1cncc(-c2cnc(-c3cccc(-c4ncc(-c5cccnc5)[nH]4)c3)[nH]2)c1
InChIInChI=1S/C42H48N2O4.2C30H26N4O6.C26H20N2.C24H18N4.4C22H16N6.C22H18N4O2.C20H14N8.43F2/c1-5-9-12-29(7-3)41(45)47-37-20-16-31(17-21-37)39-25-35(27-43-39)33-14-11-15-34(24-33)36-26-40(44-28-36)32-18-22-38(23-19-32)48-42(46)30(8-4)13-10-6-2;1-3-37-29(35)39-25-14-7-5-12-21(25)23-17-31-27(33-23)19-10-9-11-20(16-19)28-32-18-24(34-28)22-13-6-8-15-26(22)40-30(36)38-4-2;1-3-37-29(35)39-23-12-8-19(9-13-23)27-31-17-25(33-27)21-6-5-7-22(16-21)26-18-32-28(34-26)20-10-14-24(15-11-20)40-30(36)38-4-2;1-2-21(25-6-4-23(17-25)19-8-12-27-13-9-19)16-22(3-1)26-7-5-24(18-26)20-10-14-28-15-11-20;1-2-17(19-4-6-21(13-19)23-8-10-25-27-15-23)12-18(3-1)20-5-7-22(14-20)24-9-11-26-28-16-24;1-4-15(21-25-13-19(27-21)17-6-2-8-23-11-17)10-16(5-1)22-26-14-20(28-22)18-7-3-9-24-12-18;1-4-15(17-11-19(27-13-17)21-23-6-2-7-24-21)10-16(5-1)18-12-20(28-14-18)22-25-8-3-9-26-22;1-3-10-23-17(8-1)21-25-13-19(27-21)15-6-5-7-16(12-15)20-14-26-22(28-20)18-9-2-4-11-24-18;1-2-15(21-5-17(11-27-21)19-7-23-13-24-8-19)4-16(3-1)22-6-18(12-28-22)20-9-25-14-26-10-20;1-13-6-8-19(27-13)21-23-11-17(25-21)15-4-3-5-16(10-15)18-12-24-22(26-18)20-9-7-14(2)28-20;1-2-13(15-11-25-19(27-15)17-9-21-4-6-23-17)8-14(3-1)16-12-26-20(28-16)18-10-22-5-7-24-18;43*1-2/h11,14-30,43-44H,5-10,12-13H2,1-4H3;2*5-18H,3-4H2,1-2H3,(H,31,33)(H,32,34);1-16H,17-18H2;1-4,6-12,14-16H,5,13H2;1-14H,(H,25,27)(H,26,28);1-14,27-28H;1-14H,(H,25,27)(H,26,28);1-14,27-28H;3-12H,1-2H3,(H,23,25)(H,24,26);1-12H,(H,25,27)(H,26,28);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyHWABOBUKCBPSFE-UHFFFAOYSA-N
MW6273.15 g/mol
LogP99.71
Rot. Bonds64

About [2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine

[2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine (PubChem CID 158604251) has the molecular formula C282H234F86N52O18 and a molecular weight of 6273.15 g/mol. Its IUPAC name is [2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine.

Molecular Properties

Compound Name[2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine
PubChem CID158604251
Molecular FormulaC282H234F86N52O18
Molecular Weight6273.15 g/mol
Exact Mass6269.76
IUPAC Name[2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine
SMILESC1=C(c2ccncc2)CC(c2cccc(C3=CC=C(c4ccncc4)C3)c2)=C1.C1=C(c2ccnnc2)C=C(c2cccc(C3=CC=C(c4ccnnc4)C3)c2)C1.CCCCC(CC)C(=O)Oc1ccc(-c2cc(-c3cccc(-c4c[nH]c(-c5ccc(OC(=O)C(CC)CCCC)cc5)c4)c3)c[nH]2)cc1.CCOC(=O)Oc1ccc(-c2ncc(-c3cccc(-c4cnc(-c5ccc(OC(=O)OCC)cc5)[nH]4)c3)[nH]2)cc1.CCOC(=O)Oc1ccccc1-c1cnc(-c2cccc(-c3ncc(-c4ccccc4OC(=O)OCC)[nH]3)c2)[nH]1.Cc1ccc(-c2ncc(-c3cccc(-c4cnc(-c5ccc(C)o5)[nH]4)c3)[nH]2)o1.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.c1cc(-c2cc(-c3cncnc3)c[nH]2)cc(-c2cc(-c3cncnc3)c[nH]2)c1.c1cc(-c2cnc(-c3cnccn3)[nH]2)cc(-c2cnc(-c3cnccn3)[nH]2)c1.c1ccc(-c2ncc(-c3cccc(-c4cnc(-c5ccccn5)[nH]4)c3)[nH]2)nc1.c1cnc(-c2cc(-c3cccc(-c4c[nH]c(-c5ncccn5)c4)c3)c[nH]2)nc1.c1cncc(-c2cnc(-c3cccc(-c4ncc(-c5cccnc5)[nH]4)c3)[nH]2)c1
InChIInChI=1S/C42H48N2O4.2C30H26N4O6.C26H20N2.C24H18N4.4C22H16N6.C22H18N4O2.C20H14N8.43F2/c1-5-9-12-29(7-3)41(45)47-37-20-16-31(17-21-37)39-25-35(27-43-39)33-14-11-15-34(24-33)36-26-40(44-28-36)32-18-22-38(23-19-32)48-42(46)30(8-4)13-10-6-2;1-3-37-29(35)39-25-14-7-5-12-21(25)23-17-31-27(33-23)19-10-9-11-20(16-19)28-32-18-24(34-28)22-13-6-8-15-26(22)40-30(36)38-4-2;1-3-37-29(35)39-23-12-8-19(9-13-23)27-31-17-25(33-27)21-6-5-7-22(16-21)26-18-32-28(34-26)20-10-14-24(15-11-20)40-30(36)38-4-2;1-2-21(25-6-4-23(17-25)19-8-12-27-13-9-19)16-22(3-1)26-7-5-24(18-26)20-10-14-28-15-11-20;1-2-17(19-4-6-21(13-19)23-8-10-25-27-15-23)12-18(3-1)20-5-7-22(14-20)24-9-11-26-28-16-24;1-4-15(21-25-13-19(27-21)17-6-2-8-23-11-17)10-16(5-1)22-26-14-20(28-22)18-7-3-9-24-12-18;1-4-15(17-11-19(27-13-17)21-23-6-2-7-24-21)10-16(5-1)18-12-20(28-14-18)22-25-8-3-9-26-22;1-3-10-23-17(8-1)21-25-13-19(27-21)15-6-5-7-16(12-15)20-14-26-22(28-20)18-9-2-4-11-24-18;1-2-15(21-5-17(11-27-21)19-7-23-13-24-8-19)4-16(3-1)22-6-18(12-28-22)20-9-25-14-26-10-20;1-13-6-8-19(27-13)21-23-11-17(25-21)15-4-3-5-16(10-15)18-12-24-22(26-18)20-9-7-14(2)28-20;1-2-13(15-11-25-19(27-15)17-9-21-4-6-23-17)8-14(3-1)16-12-26-20(28-16)18-10-22-5-7-24-18;43*1-2/h11,14-30,43-44H,5-10,12-13H2,1-4H3;2*5-18H,3-4H2,1-2H3,(H,31,33)(H,32,34);1-16H,17-18H2;1-4,6-12,14-16H,5,13H2;1-14H,(H,25,27)(H,26,28);1-14,27-28H;1-14H,(H,25,27)(H,26,28);1-14,27-28H;3-12H,1-2H3,(H,23,25)(H,24,26);1-12H,(H,25,27)(H,26,28);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyHWABOBUKCBPSFE-UHFFFAOYSA-N
XLogP99.71
TPSA943.48 Ų
H-Bond Donors18
H-Bond Acceptors52
Rotatable Bonds64
Heavy Atoms438
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006273.15
LogP ≤ 599.71
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1052

Analyze [2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine with MolForge

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What is the IUPAC name of [2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine?
The IUPAC name of [2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine (CID 158604251) is [2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine.
What is the SMILES notation for [2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine?
The canonical SMILES for [2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine is C1=C(c2ccncc2)CC(c2cccc(C3=CC=C(c4ccncc4)C3)c2)=C1.C1=C(c2ccnnc2)C=C(c2cccc(C3=CC=C(c4ccnnc4)C3)c2)C1.CCCCC(CC)C(=O)Oc1ccc(-c2cc(-c3cccc(-c4c[nH]c(-c5ccc(OC(=O)C(CC)CCCC)cc5)c4)c3)c[nH]2)cc1.CCOC(=O)Oc1ccc(-c2ncc(-c3cccc(-c4cnc(-c5ccc(OC(=O)OCC)cc5)[nH]4)c3)[nH]2)cc1.CCOC(=O)Oc1ccccc1-c1cnc(-c2cccc(-c3ncc(-c4ccccc4OC(=O)OCC)[nH]3)c2)[nH]1.Cc1ccc(-c2ncc(-c3cccc(-c4cnc(-c5ccc(C)o5)[nH]4)c3)[nH]2)o1.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.c1cc(-c2cc(-c3cncnc3)c[nH]2)cc(-c2cc(-c3cncnc3)c[nH]2)c1.c1cc(-c2cnc(-c3cnccn3)[nH]2)cc(-c2cnc(-c3cnccn3)[nH]2)c1.c1ccc(-c2ncc(-c3cccc(-c4cnc(-c5ccccn5)[nH]4)c3)[nH]2)nc1.c1cnc(-c2cc(-c3cccc(-c4c[nH]c(-c5ncccn5)c4)c3)c[nH]2)nc1.c1cncc(-c2cnc(-c3cccc(-c4ncc(-c5cccnc5)[nH]4)c3)[nH]2)c1.
What is the InChIKey of [2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine?
The InChIKey is HWABOBUKCBPSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48N2O4.2C30H26N4O6.C26H20N2.C24H18N4.4C22H16N6.C22H18N4O2.C20H14N8.43F2/c1-5-9-12-29(7-3)41(45)47-37-20-16-31(17-21-37)39-25-35(27-43-39)33-14-11-15-34(24-33)36-26-40(44-28-36)32-18-22-38(23-19-32)48-42(46)30(8-4)13-10-6-2;1-3-37-29(35)39-25-14-7-5-12-21(25)23-17-31-27(33-23)19-10-9-11-20(16-19)28-32-18-24(34-28)22-13-6-8-15-26(22)40-30(36)38-4-2;1-3-37-29(35)39-23-12-8-19(9-13-23)27-31-17-25(33-27)21-6-5-7-22(16-21)26-18-32-28(34-26)20-10-14-24(15-11-20)40-30(36)38-4-2;1-2-21(25-6-4-23(17-25)19-8-12-27-13-9-19)16-22(3-1)26-7-5-24(18-26)20-10-14-28-15-11-20;1-2-17(19-4-6-21(13-19)23-8-10-25-27-15-23)12-18(3-1)20-5-7-22(14-20)24-9-11-26-28-16-24;1-4-15(21-25-13-19(27-21)17-6-2-8-23-11-17)10-16(5-1)22-26-14-20(28-22)18-7-3-9-24-12-18;1-4-15(17-11-19(27-13-17)21-23-6-2-7-24-21)10-16(5-1)18-12-20(28-14-18)22-25-8-3-9-26-22;1-3-10-23-17(8-1)21-25-13-19(27-21)15-6-5-7-16(12-15)20-14-26-22(28-20)18-9-2-4-11-24-18;1-2-15(21-5-17(11-27-21)19-7-23-13-24-8-19)4-16(3-1)22-6-18(12-28-22)20-9-25-14-26-10-20;1-13-6-8-19(27-13)21-23-11-17(25-21)15-4-3-5-16(10-15)18-12-24-22(26-18)20-9-7-14(2)28-20;1-2-13(15-11-25-19(27-15)17-9-21-4-6-23-17)8-14(3-1)16-12-26-20(28-16)18-10-22-5-7-24-18;43*1-2/h11,14-30,43-44H,5-10,12-13H2,1-4H3;2*5-18H,3-4H2,1-2H3,(H,31,33)(H,32,34);1-16H,17-18H2;1-4,6-12,14-16H,5,13H2;1-14H,(H,25,27)(H,26,28);1-14,27-28H;1-14H,(H,25,27)(H,26,28);1-14,27-28H;3-12H,1-2H3,(H,23,25)(H,24,26);1-12H,(H,25,27)(H,26,28);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of [2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine?
[2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine has a molecular weight of 6273.15 g/mol, XLogP of 99.71, 64 rotatable bonds, 18 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate;[4-[5-[3-[2-(4-ethoxycarbonyloxyphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl] ethyl carbonate;[4-[4-[3-[5-[4-(2-ethylhexanoyloxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] 2-ethylhexanoate;2-(5-methylfuran-2-yl)-5-[3-[2-(5-methylfuran-2-yl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;molecular fluorine;2-[5-[3-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrazine;4-[4-[3-(3-pyridazin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridazine;4-[4-[3-(4-pyridin-4-ylcyclopenta-1,3-dien-1-yl)phenyl]cyclopenta-1,3-dien-1-yl]pyridine;2-[5-[3-(2-pyridin-2-yl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]pyridine;3-[2-[3-(5-pyridin-3-yl-1H-imidazol-2-yl)phenyl]-1H-imidazol-5-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine;5-[5-[3-(4-pyrimidin-5-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-3-yl]pyrimidine is sourced from PubChem (CID 158604251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).