7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole

C225H234N34 — CID 162285391

IUPAC7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole
SMILESCc1cc2c(cc1N1C(C)C3(CCCCC3)CC1(C)C)nc1n2-c2ccccc2C1.Cc1cc2c(cc1N1C(C)C3(CCCCC3)CC1(C)C)nc1n2C=CC1.Cc1cc2c(cc1N1CC3(CCCCC3)c3cccnc31)nc1n2C=CC1.Cc1cc2c(cc1N1c3ccccc3C3(CCCCC3)C1C)nc1n2-c2ccccc2C1.Cc1cc2c(cc1N1c3ccccc3C3(CCCCC3)C1C)nc1n2C=CC1.Cc1cc2c(cc1N1c3ccccc3N(c3ccccc3)[C@@H]1C)nc1n2-c2ccccc2C1.Cc1cc2c(cc1N1c3nccnc3N(c3ccccc3)[C@@H]1C)nc1n2-c2ccccc2C1.[2H]C([2H])([2H])C([2H])(C)N1C=CN(c2cc3nc4n(c3cc2C)-c2ccccc2C4)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2cc3nc4n(c3cc2C)-c2ccccc2C4)[C@H]1C
InChIInChI=1S/C29H24N4.C29H29N3.C27H22N6.C27H33N3.C25H27N3.C23H24N4.C23H31N3.C22H24N4.C20H20N4/c1-19-16-28-23(30-29-17-21-10-6-7-13-24(21)33(28)29)18-27(19)32-20(2)31(22-11-4-3-5-12-22)25-14-8-9-15-26(25)32;1-19-16-27-23(30-28-17-21-10-4-6-12-24(21)32(27)28)18-26(19)31-20(2)29(14-8-3-9-15-29)22-11-5-7-13-25(22)31;1-17-14-24-21(30-25-15-19-8-6-7-11-22(19)33(24)25)16-23(17)32-18(2)31(20-9-4-3-5-10-20)26-27(32)29-13-12-28-26;1-18-14-24-21(28-25-15-20-10-6-7-11-22(20)29(24)25)16-23(18)30-19(2)27(17-26(30,3)4)12-8-5-9-13-27;1-17-15-23-20(26-24-11-8-14-27(23)24)16-22(17)28-18(2)25(12-6-3-7-13-25)19-9-4-5-10-21(19)28;1-16-13-20-18(25-21-8-6-12-26(20)21)14-19(16)27-15-23(9-3-2-4-10-23)17-7-5-11-24-22(17)27;1-16-13-20-18(24-21-9-8-12-25(20)21)14-19(16)26-17(2)23(15-22(26,3)4)10-6-5-7-11-23;1-14(2)24-9-10-25(16(24)4)20-13-18-21(11-15(20)3)26-19-8-6-5-7-17(19)12-22(26)23-18;1-13-10-19-16(12-18(13)23-9-8-22(3)14(23)2)21-20-11-15-6-4-5-7-17(15)24(19)20/h3-16,18,20H,17H2,1-2H3;4-7,10-13,16,18,20H,3,8-9,14-15,17H2,1-2H3;3-14,16,18H,15H2,1-2H3;6-7,10-11,14,16,19H,5,8-9,12-13,15,17H2,1-4H3;4-5,8-10,14-16,18H,3,6-7,11-13H2,1-2H3;5-7,11-14H,2-4,8-10,15H2,1H3;8,12-14,17H,5-7,9-11,15H2,1-4H3;5-11,13-14,16H,12H2,1-4H3;4-10,12,14H,11H2,1-3H3/t20-;;18-;;;;;16-;14-/m0.0....00/s1/i;;;;;;;1D3,14D;3D3/t;;;;;;;14?,16-;m
InChIKeyNPSJIFNPAVKWDZ-NOWLBLJZSA-N
MW3421.63 g/mol
LogP51.41
Rot. Bonds14

About 7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole

7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole (PubChem CID 162285391) has the molecular formula C225H234N34 and a molecular weight of 3421.63 g/mol. Its IUPAC name is 7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole
PubChem CID162285391
Molecular FormulaC225H234N34
Molecular Weight3421.63 g/mol
Exact Mass3418.98
IUPAC Name7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole
SMILESCc1cc2c(cc1N1C(C)C3(CCCCC3)CC1(C)C)nc1n2-c2ccccc2C1.Cc1cc2c(cc1N1C(C)C3(CCCCC3)CC1(C)C)nc1n2C=CC1.Cc1cc2c(cc1N1CC3(CCCCC3)c3cccnc31)nc1n2C=CC1.Cc1cc2c(cc1N1c3ccccc3C3(CCCCC3)C1C)nc1n2-c2ccccc2C1.Cc1cc2c(cc1N1c3ccccc3C3(CCCCC3)C1C)nc1n2C=CC1.Cc1cc2c(cc1N1c3ccccc3N(c3ccccc3)[C@@H]1C)nc1n2-c2ccccc2C1.Cc1cc2c(cc1N1c3nccnc3N(c3ccccc3)[C@@H]1C)nc1n2-c2ccccc2C1.[2H]C([2H])([2H])C([2H])(C)N1C=CN(c2cc3nc4n(c3cc2C)-c2ccccc2C4)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2cc3nc4n(c3cc2C)-c2ccccc2C4)[C@H]1C
InChIInChI=1S/C29H24N4.C29H29N3.C27H22N6.C27H33N3.C25H27N3.C23H24N4.C23H31N3.C22H24N4.C20H20N4/c1-19-16-28-23(30-29-17-21-10-6-7-13-24(21)33(28)29)18-27(19)32-20(2)31(22-11-4-3-5-12-22)25-14-8-9-15-26(25)32;1-19-16-27-23(30-28-17-21-10-4-6-12-24(21)32(27)28)18-26(19)31-20(2)29(14-8-3-9-15-29)22-11-5-7-13-25(22)31;1-17-14-24-21(30-25-15-19-8-6-7-11-22(19)33(24)25)16-23(17)32-18(2)31(20-9-4-3-5-10-20)26-27(32)29-13-12-28-26;1-18-14-24-21(28-25-15-20-10-6-7-11-22(20)29(24)25)16-23(18)30-19(2)27(17-26(30,3)4)12-8-5-9-13-27;1-17-15-23-20(26-24-11-8-14-27(23)24)16-22(17)28-18(2)25(12-6-3-7-13-25)19-9-4-5-10-21(19)28;1-16-13-20-18(25-21-8-6-12-26(20)21)14-19(16)27-15-23(9-3-2-4-10-23)17-7-5-11-24-22(17)27;1-16-13-20-18(24-21-9-8-12-25(20)21)14-19(16)26-17(2)23(15-22(26,3)4)10-6-5-7-11-23;1-14(2)24-9-10-25(16(24)4)20-13-18-21(11-15(20)3)26-19-8-6-5-7-17(19)12-22(26)23-18;1-13-10-19-16(12-18(13)23-9-8-22(3)14(23)2)21-20-11-15-6-4-5-7-17(15)24(19)20/h3-16,18,20H,17H2,1-2H3;4-7,10-13,16,18,20H,3,8-9,14-15,17H2,1-2H3;3-14,16,18H,15H2,1-2H3;6-7,10-11,14,16,19H,5,8-9,12-13,15,17H2,1-4H3;4-5,8-10,14-16,18H,3,6-7,11-13H2,1-2H3;5-7,11-14H,2-4,8-10,15H2,1H3;8,12-14,17H,5-7,9-11,15H2,1-4H3;5-11,13-14,16H,12H2,1-4H3;4-10,12,14H,11H2,1-3H3/t20-;;18-;;;;;16-;14-/m0.0....00/s1/i;;;;;;;1D3,14D;3D3/t;;;;;;;14?,16-;m
InChIKeyNPSJIFNPAVKWDZ-NOWLBLJZSA-N
XLogP51.41
TPSA241.17 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds14
Heavy Atoms259
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003421.63
LogP ≤ 551.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of 7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole (CID 162285391) is 7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for 7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for 7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole is Cc1cc2c(cc1N1C(C)C3(CCCCC3)CC1(C)C)nc1n2-c2ccccc2C1.Cc1cc2c(cc1N1C(C)C3(CCCCC3)CC1(C)C)nc1n2C=CC1.Cc1cc2c(cc1N1CC3(CCCCC3)c3cccnc31)nc1n2C=CC1.Cc1cc2c(cc1N1c3ccccc3C3(CCCCC3)C1C)nc1n2-c2ccccc2C1.Cc1cc2c(cc1N1c3ccccc3C3(CCCCC3)C1C)nc1n2C=CC1.Cc1cc2c(cc1N1c3ccccc3N(c3ccccc3)[C@@H]1C)nc1n2-c2ccccc2C1.Cc1cc2c(cc1N1c3nccnc3N(c3ccccc3)[C@@H]1C)nc1n2-c2ccccc2C1.[2H]C([2H])([2H])C([2H])(C)N1C=CN(c2cc3nc4n(c3cc2C)-c2ccccc2C4)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2cc3nc4n(c3cc2C)-c2ccccc2C4)[C@H]1C.
What is the InChIKey of 7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is NPSJIFNPAVKWDZ-NOWLBLJZSA-N. The full InChI is InChI=1S/C29H24N4.C29H29N3.C27H22N6.C27H33N3.C25H27N3.C23H24N4.C23H31N3.C22H24N4.C20H20N4/c1-19-16-28-23(30-29-17-21-10-6-7-13-24(21)33(28)29)18-27(19)32-20(2)31(22-11-4-3-5-12-22)25-14-8-9-15-26(25)32;1-19-16-27-23(30-28-17-21-10-4-6-12-24(21)32(27)28)18-26(19)31-20(2)29(14-8-3-9-15-29)22-11-5-7-13-25(22)31;1-17-14-24-21(30-25-15-19-8-6-7-11-22(19)33(24)25)16-23(17)32-18(2)31(20-9-4-3-5-10-20)26-27(32)29-13-12-28-26;1-18-14-24-21(28-25-15-20-10-6-7-11-22(20)29(24)25)16-23(18)30-19(2)27(17-26(30,3)4)12-8-5-9-13-27;1-17-15-23-20(26-24-11-8-14-27(23)24)16-22(17)28-18(2)25(12-6-3-7-13-25)19-9-4-5-10-21(19)28;1-16-13-20-18(25-21-8-6-12-26(20)21)14-19(16)27-15-23(9-3-2-4-10-23)17-7-5-11-24-22(17)27;1-16-13-20-18(24-21-9-8-12-25(20)21)14-19(16)26-17(2)23(15-22(26,3)4)10-6-5-7-11-23;1-14(2)24-9-10-25(16(24)4)20-13-18-21(11-15(20)3)26-19-8-6-5-7-17(19)12-22(26)23-18;1-13-10-19-16(12-18(13)23-9-8-22(3)14(23)2)21-20-11-15-6-4-5-7-17(15)24(19)20/h3-16,18,20H,17H2,1-2H3;4-7,10-13,16,18,20H,3,8-9,14-15,17H2,1-2H3;3-14,16,18H,15H2,1-2H3;6-7,10-11,14,16,19H,5,8-9,12-13,15,17H2,1-4H3;4-5,8-10,14-16,18H,3,6-7,11-13H2,1-2H3;5-7,11-14H,2-4,8-10,15H2,1H3;8,12-14,17H,5-7,9-11,15H2,1-4H3;5-11,13-14,16H,12H2,1-4H3;4-10,12,14H,11H2,1-3H3/t20-;;18-;;;;;16-;14-/m0.0....00/s1/i;;;;;;;1D3,14D;3D3/t;;;;;;;14?,16-;m.
What are the key properties of 7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole?
7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 3421.63 g/mol, XLogP of 51.41, 14 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-indole-3,1'-cyclohexane];7-methyl-8-(2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole;1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane];7-methyl-8-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-11H-indolo[1,2-a]benzimidazole;7-methyl-6-(1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-3H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 162285391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).