2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole

C278H192N34O3S4 — CID 161437484

IUPAC2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
SMILESCc1cccc2c1nc1n(-c3c(-c4ccccc4)c(-c4ccccc4)nn3-c3ccccc3)c3ccccc3n21.Cc1cccc2c1nc1n(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c3ccccc3n21.Cc1cccc2c1nc1n(-c3oc(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c3ccccc3n21.Cc1cccc2c1nc1n(-c3sc(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c3ccccc3n21.[2H]C([2H])([2H])c1cccc2c1nc1n(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c3ccccc3n21.[2H]C([2H])([2H])c1cccc2c1nc1n(-c3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)c3ccccc3n21.[2H]C([2H])([2H])c1cccc2c1nc1sc3c(-c4nnc(-c5cccc6c5sc5nc7c(C)cccc7n56)o4)cccc3n12.[2H]C([2H])([2H])c1cccc2c1nc1sc3c(-c4nnc(-c5ccccc5)o4)cccc3n12
InChIInChI=1S/2C42H30N4.C36H25N3O.C36H25N3S.2C35H25N5.C30H18N6OS2.C22H14N4OS/c1-29-17-16-28-36-39(29)43-42-45(36)34-26-14-15-27-35(34)46(42)41-38(31-20-8-3-9-21-31)37(30-18-6-2-7-19-30)40(32-22-10-4-11-23-32)44(41)33-24-12-5-13-25-33;1-29-17-16-28-36-38(29)43-42-45(36)34-26-14-15-27-35(34)46(42)41-37(30-18-6-2-7-19-30)39(31-20-8-3-9-21-31)44(33-24-12-5-13-25-33)40(41)32-22-10-4-11-23-32;2*1-24-14-13-23-30-33(24)37-36-38(30)28-21-11-12-22-29(28)39(36)35-32(26-17-7-3-8-18-26)31(25-15-5-2-6-16-25)34(40-35)27-19-9-4-10-20-27;1-24-14-13-23-30-32(24)36-35-38(30)28-21-11-12-22-29(28)39(35)34-31(25-15-5-2-6-16-25)33(26-17-7-3-8-18-26)37-40(34)27-19-9-4-10-20-27;1-24-14-13-23-30-31(24)36-35-39(30)28-21-11-12-22-29(28)40(35)34-37-32(25-15-5-2-6-16-25)33(26-17-7-3-8-18-26)38(34)27-19-9-4-10-20-27;1-15-7-3-11-19-23(15)31-29-35(19)21-13-5-9-17(25(21)38-29)27-33-34-28(37-27)18-10-6-14-22-26(18)39-30-32-24-16(2)8-4-12-20(24)36(22)30;1-13-7-5-11-16-18(13)23-22-26(16)17-12-6-10-15(19(17)28-22)21-25-24-20(27-21)14-8-3-2-4-9-14/h2*2-28H,1H3;4*2-23H,1H3;3-14H,1-2H3;2-12H,1H3/i2*1D3;;;;;2*1D3
InChIKeyVYVLTKJQKMZKRI-KSIXJPRFSA-N
MW4197.17 g/mol
LogP70.50
Rot. Bonds34

About 2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole

2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 161437484) has the molecular formula C278H192N34O3S4 and a molecular weight of 4197.17 g/mol. Its IUPAC name is 2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID161437484
Molecular FormulaC278H192N34O3S4
Molecular Weight4197.17 g/mol
Exact Mass4193.56
IUPAC Name2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
SMILESCc1cccc2c1nc1n(-c3c(-c4ccccc4)c(-c4ccccc4)nn3-c3ccccc3)c3ccccc3n21.Cc1cccc2c1nc1n(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c3ccccc3n21.Cc1cccc2c1nc1n(-c3oc(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c3ccccc3n21.Cc1cccc2c1nc1n(-c3sc(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c3ccccc3n21.[2H]C([2H])([2H])c1cccc2c1nc1n(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c3ccccc3n21.[2H]C([2H])([2H])c1cccc2c1nc1n(-c3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)c3ccccc3n21.[2H]C([2H])([2H])c1cccc2c1nc1sc3c(-c4nnc(-c5cccc6c5sc5nc7c(C)cccc7n56)o4)cccc3n12.[2H]C([2H])([2H])c1cccc2c1nc1sc3c(-c4nnc(-c5ccccc5)o4)cccc3n12
InChIInChI=1S/2C42H30N4.C36H25N3O.C36H25N3S.2C35H25N5.C30H18N6OS2.C22H14N4OS/c1-29-17-16-28-36-39(29)43-42-45(36)34-26-14-15-27-35(34)46(42)41-38(31-20-8-3-9-21-31)37(30-18-6-2-7-19-30)40(32-22-10-4-11-23-32)44(41)33-24-12-5-13-25-33;1-29-17-16-28-36-38(29)43-42-45(36)34-26-14-15-27-35(34)46(42)41-37(30-18-6-2-7-19-30)39(31-20-8-3-9-21-31)44(33-24-12-5-13-25-33)40(41)32-22-10-4-11-23-32;2*1-24-14-13-23-30-33(24)37-36-38(30)28-21-11-12-22-29(28)39(36)35-32(26-17-7-3-8-18-26)31(25-15-5-2-6-16-25)34(40-35)27-19-9-4-10-20-27;1-24-14-13-23-30-32(24)36-35-38(30)28-21-11-12-22-29(28)39(35)34-31(25-15-5-2-6-16-25)33(26-17-7-3-8-18-26)37-40(34)27-19-9-4-10-20-27;1-24-14-13-23-30-31(24)36-35-39(30)28-21-11-12-22-29(28)40(35)34-37-32(25-15-5-2-6-16-25)33(26-17-7-3-8-18-26)38(34)27-19-9-4-10-20-27;1-15-7-3-11-19-23(15)31-29-35(19)21-13-5-9-17(25(21)38-29)27-33-34-28(37-27)18-10-6-14-22-26(18)39-30-32-24-16(2)8-4-12-20(24)36(22)30;1-13-7-5-11-16-18(13)23-22-26(16)17-12-6-10-15(19(17)28-22)21-25-24-20(27-21)14-8-3-2-4-9-14/h2*2-28H,1H3;4*2-23H,1H3;3-14H,1-2H3;2-12H,1H3/i2*1D3;;;;;2*1D3
InChIKeyVYVLTKJQKMZKRI-KSIXJPRFSA-N
XLogP70.50
TPSA321.76 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds34
Heavy Atoms319
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004197.17
LogP ≤ 570.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole
CID 163415364
4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
CID 163510627
5-[3-(2,3,5,6-tetraphenylphenyl)phenyl]-4,7-bis(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
CID 140947900
6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
CID 137364519
4-[3-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-3-tert-butylbenzimidazolo[2,1-b][1,3]benzothiazole
CID 140947627
5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
CID 89272604
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole
CID 126749781
4-[4-(3-phenylquinoxalin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 170193584
9-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-tert-butyl-4-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;3-tert-butyl-4-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;3-(1-deuteriocyclopentyl)-4-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;8-methyl-7-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 159113623
2-(5-octacyclo[16.16.2.02,7.08,13.014,36.019,24.025,30.031,35]hexatriaconta-1(34),2(7),3,5,8,10,12,14,16,18(36),19,21,23,25,27,29,31(35),32-octadecaenyl)-6-[11-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]tetraphenylen-2-yl]benzonitrile
CID 140961220
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole
CID 126749759

Frequently Asked Questions

What is the IUPAC name of 2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole (CID 161437484) is 2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole is Cc1cccc2c1nc1n(-c3c(-c4ccccc4)c(-c4ccccc4)nn3-c3ccccc3)c3ccccc3n21.Cc1cccc2c1nc1n(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c3ccccc3n21.Cc1cccc2c1nc1n(-c3oc(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c3ccccc3n21.Cc1cccc2c1nc1n(-c3sc(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c3ccccc3n21.[2H]C([2H])([2H])c1cccc2c1nc1n(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c3ccccc3n21.[2H]C([2H])([2H])c1cccc2c1nc1n(-c3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)c3ccccc3n21.[2H]C([2H])([2H])c1cccc2c1nc1sc3c(-c4nnc(-c5cccc6c5sc5nc7c(C)cccc7n56)o4)cccc3n12.[2H]C([2H])([2H])c1cccc2c1nc1sc3c(-c4nnc(-c5ccccc5)o4)cccc3n12.
What is the InChIKey of 2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is VYVLTKJQKMZKRI-KSIXJPRFSA-N. The full InChI is InChI=1S/2C42H30N4.C36H25N3O.C36H25N3S.2C35H25N5.C30H18N6OS2.C22H14N4OS/c1-29-17-16-28-36-39(29)43-42-45(36)34-26-14-15-27-35(34)46(42)41-38(31-20-8-3-9-21-31)37(30-18-6-2-7-19-30)40(32-22-10-4-11-23-32)44(41)33-24-12-5-13-25-33;1-29-17-16-28-36-38(29)43-42-45(36)34-26-14-15-27-35(34)46(42)41-37(30-18-6-2-7-19-30)39(31-20-8-3-9-21-31)44(33-24-12-5-13-25-33)40(41)32-22-10-4-11-23-32;2*1-24-14-13-23-30-33(24)37-36-38(30)28-21-11-12-22-29(28)39(36)35-32(26-17-7-3-8-18-26)31(25-15-5-2-6-16-25)34(40-35)27-19-9-4-10-20-27;1-24-14-13-23-30-32(24)36-35-38(30)28-21-11-12-22-29(28)39(35)34-31(25-15-5-2-6-16-25)33(26-17-7-3-8-18-26)37-40(34)27-19-9-4-10-20-27;1-24-14-13-23-30-31(24)36-35-39(30)28-21-11-12-22-29(28)40(35)34-37-32(25-15-5-2-6-16-25)33(26-17-7-3-8-18-26)38(34)27-19-9-4-10-20-27;1-15-7-3-11-19-23(15)31-29-35(19)21-13-5-9-17(25(21)38-29)27-33-34-28(37-27)18-10-6-14-22-26(18)39-30-32-24-16(2)8-4-12-20(24)36(22)30;1-13-7-5-11-16-18(13)23-22-26(16)17-12-6-10-15(19(17)28-22)21-25-24-20(27-21)14-8-3-2-4-9-14/h2*2-28H,1H3;4*2-23H,1H3;3-14H,1-2H3;2-12H,1H3/i2*1D3;;;;;2*1D3.
What are the key properties of 2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole?
2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 4197.17 g/mol, XLogP of 70.50, 34 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 161437484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).