5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole

C148H91N45O7S10 — CID 141290183

IUPAC5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole
SMILESc1ccc(S2(c3c[nH]nn3)(c3csnn3)(c3ncccn3)N(c3nc[nH]n3)C3(c4ccc[nH]4)C(c4cnccn4)(c4nccs4)C(c4cccnn4)(c4ccsn4)C(c4cc[nH]n4)(c4cc5ccccc5[nH]4)C(c4ncco4)(C4(c5cccc6[nH]nnc56)C(c5nc6ccccc6[nH]5)(c5c(-c6cccs6)c(-c6ccco6)cc6snnc56)C(c5n[nH]c6ccccc56)(c5cccc6onnc56)C(c5cnc6ccsc6c5)(c5cc6ccccc6s5)C5(c6cc7ccccc7o6)N(c6cccc7snnc67)ON(c6nc7ccccc7s6)C54c4nc5ccccc5o4)C3(c3ccon3)N2c2ncc[nH]2)nc1
InChIInChI=1S/C148H91N45O7S10/c1-5-31-91-83(25-1)73-115(165-91)140(111-50-59-162-173-111)139(112-53-71-204-183-112,110-47-21-58-161-172-110)141(132-154-65-72-203-132,116-79-149-60-61-151-116)145(113-48-20-55-150-113)146(114-51-67-196-182-114,192(133-155-62-63-156-133)210(120-80-163-184-174-120,121-81-205-187-175-121,119-49-15-16-54-152-119,135-157-56-24-57-158-135)193(145)134-160-82-164-181-134)144(140,130-153-64-68-195-130)143(90-30-17-37-98-124(90)176-185-171-98)142(129-166-93-33-7-8-34-94(93)167-129,123-122(106-46-23-69-201-106)88(101-42-22-66-194-101)77-109-127(123)179-189-209-109)138(89-29-18-41-103-125(89)177-186-199-103,128-87-28-4-6-32-92(87)170-180-128)137(86-76-108-96(159-78-86)52-70-202-108,118-75-85-27-3-13-43-104(85)206-118)147(117-74-84-26-2-11-39-100(84)197-117)148(143,131-168-95-35-9-12-40-102(95)198-131)191(136-169-97-36-10-14-44-105(97)207-136)200-190(147)99-38-19-45-107-126(99)178-188-208-107/h1-82,150,165H,(H,155,156)(H,162,173)(H,166,167)(H,170,180)(H,160,164,181)(H,163,174,184)(H,171,176,185)
InChIKeyQGPSDFWFQWHGNZ-UHFFFAOYSA-N
MW2932.33 g/mol
LogP29.11
Rot. Bonds29

About 5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole

5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole (PubChem CID 141290183) has the molecular formula C148H91N45O7S10 and a molecular weight of 2932.33 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole
PubChem CID141290183
Molecular FormulaC148H91N45O7S10
Molecular Weight2932.33 g/mol
Exact Mass2929.54
IUPAC Name5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole
SMILESc1ccc(S2(c3c[nH]nn3)(c3csnn3)(c3ncccn3)N(c3nc[nH]n3)C3(c4ccc[nH]4)C(c4cnccn4)(c4nccs4)C(c4cccnn4)(c4ccsn4)C(c4cc[nH]n4)(c4cc5ccccc5[nH]4)C(c4ncco4)(C4(c5cccc6[nH]nnc56)C(c5nc6ccccc6[nH]5)(c5c(-c6cccs6)c(-c6ccco6)cc6snnc56)C(c5n[nH]c6ccccc56)(c5cccc6onnc56)C(c5cnc6ccsc6c5)(c5cc6ccccc6s5)C5(c6cc7ccccc7o6)N(c6cccc7snnc67)ON(c6nc7ccccc7s6)C54c4nc5ccccc5o4)C3(c3ccon3)N2c2ncc[nH]2)nc1
InChIInChI=1S/C148H91N45O7S10/c1-5-31-91-83(25-1)73-115(165-91)140(111-50-59-162-173-111)139(112-53-71-204-183-112,110-47-21-58-161-172-110)141(132-154-65-72-203-132,116-79-149-60-61-151-116)145(113-48-20-55-150-113)146(114-51-67-196-182-114,192(133-155-62-63-156-133)210(120-80-163-184-174-120,121-81-205-187-175-121,119-49-15-16-54-152-119,135-157-56-24-57-158-135)193(145)134-160-82-164-181-134)144(140,130-153-64-68-195-130)143(90-30-17-37-98-124(90)176-185-171-98)142(129-166-93-33-7-8-34-94(93)167-129,123-122(106-46-23-69-201-106)88(101-42-22-66-194-101)77-109-127(123)179-189-209-109)138(89-29-18-41-103-125(89)177-186-199-103,128-87-28-4-6-32-92(87)170-180-128)137(86-76-108-96(159-78-86)52-70-202-108,118-75-85-27-3-13-43-104(85)206-118)147(117-74-84-26-2-11-39-100(84)197-117)148(143,131-168-95-35-9-12-40-102(95)198-131)191(136-169-97-36-10-14-44-105(97)207-136)200-190(147)99-38-19-45-107-126(99)178-188-208-107/h1-82,150,165H,(H,155,156)(H,162,173)(H,166,167)(H,170,180)(H,160,164,181)(H,163,174,184)(H,171,176,185)
InChIKeyQGPSDFWFQWHGNZ-UHFFFAOYSA-N
XLogP29.11
TPSA655.62 Ų
H-Bond Donors9
H-Bond Acceptors52
Rotatable Bonds29
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002932.33
LogP ≤ 529.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1052

Analyze 5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole with MolForge

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Related Compounds

N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1,5-naphthyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine
CID 157645993
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methyl-1H-benzimidazole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;3-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;3-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;3-methyl-2H-indazole;6-methyl-1H-indazole;2-methylthieno[2,3-b]pyridine
CID 158095790
N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;1,3-dimethyl-5-(trifluoromethyl)benzene;6-methyl-1H-benzimidazol-2-amine;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;3-methyl-2H-indazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide
CID 158727015
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;6-methyl-1H-indazole;2-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;2-methylthieno[2,3-b]pyridine
CID 158749319
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;3-methyl-2H-indazole;6-methyl-1H-indazole;2-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine
CID 159667227
bis(N-(1,5-dimethylbenzimidazol-2-yl)acetamide);1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;bis(N-(6-methyl-1H-benzimidazol-2-yl)acetamide);3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;bis(N-(5-methyl-1,3-benzothiazol-2-yl)acetamide);3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;bis(N-(5-methyl-1,3-benzoxazol-2-yl)acetamide);3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1H-indole
CID 160634765
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;6-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-c]pyridine);1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161043810
N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;1,3-dimethyl-5-(trifluoromethyl)benzene;6-methyl-1H-benzimidazol-2-amine;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide
CID 164090390
2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 91005795
4-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-[4-[4-[4-[3-[4-[5-[1-[5-[5-[4-[3-[4-[5-(1H-indol-2-yl)-3H-benzotriazol-4-yl]-1H-benzimidazol-2-yl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]oxadiazol-4-yl]tetrazol-5-yl]-1H-triazol-4-yl]pyrimidin-2-yl]-2-pyridinyl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]-5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrrolidin-2-yl]morpholine
CID 91229188
4-[1-[5-[4-[5-[2-[3-[4-(oxadiazol-4-yl)-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1H-pyrrol-3-yl]tetrazol-1-yl]thiadiazol-5-yl]-1H-triazol-4-yl]pyrrolidin-2-yl]-3-[3-[2-[4-[3-[2-[4-[3-[2-[[4-[4-[4-(1,2-thiazol-3-yl)-1,2-oxazol-3-yl]-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]furan-2-yl]pyridazin-3-yl]piperazin-1-yl]pyrazin-2-yl]pyrimidin-2-yl]piperidin-1-yl]-2-pyridinyl]morpholine
CID 91803295
2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole
CID 141224057

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole (CID 141290183) is 5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole is c1ccc(S2(c3c[nH]nn3)(c3csnn3)(c3ncccn3)N(c3nc[nH]n3)C3(c4ccc[nH]4)C(c4cnccn4)(c4nccs4)C(c4cccnn4)(c4ccsn4)C(c4cc[nH]n4)(c4cc5ccccc5[nH]4)C(c4ncco4)(C4(c5cccc6[nH]nnc56)C(c5nc6ccccc6[nH]5)(c5c(-c6cccs6)c(-c6ccco6)cc6snnc56)C(c5n[nH]c6ccccc56)(c5cccc6onnc56)C(c5cnc6ccsc6c5)(c5cc6ccccc6s5)C5(c6cc7ccccc7o6)N(c6cccc7snnc67)ON(c6nc7ccccc7s6)C54c4nc5ccccc5o4)C3(c3ccon3)N2c2ncc[nH]2)nc1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole?
The InChIKey is QGPSDFWFQWHGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H91N45O7S10/c1-5-31-91-83(25-1)73-115(165-91)140(111-50-59-162-173-111)139(112-53-71-204-183-112,110-47-21-58-161-172-110)141(132-154-65-72-203-132,116-79-149-60-61-151-116)145(113-48-20-55-150-113)146(114-51-67-196-182-114,192(133-155-62-63-156-133)210(120-80-163-184-174-120,121-81-205-187-175-121,119-49-15-16-54-152-119,135-157-56-24-57-158-135)193(145)134-160-82-164-181-134)144(140,130-153-64-68-195-130)143(90-30-17-37-98-124(90)176-185-171-98)142(129-166-93-33-7-8-34-94(93)167-129,123-122(106-46-23-69-201-106)88(101-42-22-66-194-101)77-109-127(123)179-189-209-109)138(89-29-18-41-103-125(89)177-186-199-103,128-87-28-4-6-32-92(87)170-180-128)137(86-76-108-96(159-78-86)52-70-202-108,118-75-85-27-3-13-43-104(85)206-118)147(117-74-84-26-2-11-39-100(84)197-117)148(143,131-168-95-35-9-12-40-102(95)198-131)191(136-169-97-36-10-14-44-105(97)207-136)200-190(147)99-38-19-45-107-126(99)178-188-208-107/h1-82,150,165H,(H,155,156)(H,162,173)(H,166,167)(H,170,180)(H,160,164,181)(H,163,174,184)(H,171,176,185).
What are the key properties of 5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole?
5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole has a molecular weight of 2932.33 g/mol, XLogP of 29.11, 29 rotatable bonds, 9 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole is sourced from PubChem (CID 141290183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).