2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole

C195H192Cl4F4N34O3 — CID 159607553

IUPAC2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCCc1ccc(C2=Nc3ccc(-c4cc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c(Cl)c1.CCc1ccc(C2=Nc3ccc(-c4cc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c(Cl)c1Cl.CCc1ccc(C2=Nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c(F)c1.CN1CCN(c2ccc3nc(-c4ccc5c(c4)CC(c4ccc(N(C)C)cc4F)=N5)[nH]c3c2)CC1.COc1ccc(C2=Nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c(F)c1.COc1cccc(C2=Nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c1Cl.COc1cccc(C2=Nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c1F
InChIInChI=1S/C29H28Cl2N4.C29H29ClN4.C28H29FN6.C28H28FN5.C27H26ClN5O.2C27H26FN5O/c1-3-18-5-8-23(29(31)28(18)30)27-16-21-14-19(6-9-24(21)32-27)25-15-20-4-7-22(17-26(20)33-25)35-12-10-34(2)11-13-35;1-3-19-4-8-24(25(30)14-19)29-17-22-15-20(6-9-26(22)31-29)27-16-21-5-7-23(18-28(21)32-27)34-12-10-33(2)11-13-34;1-33(2)20-5-7-22(23(29)16-20)26-15-19-14-18(4-8-24(19)30-26)28-31-25-9-6-21(17-27(25)32-28)35-12-10-34(3)11-13-35;1-3-18-4-7-22(23(29)14-18)26-16-20-15-19(5-8-24(20)30-26)28-31-25-9-6-21(17-27(25)32-28)34-12-10-33(2)11-13-34;1-32-10-12-33(13-11-32)19-7-9-22-24(16-19)31-27(30-22)17-6-8-21-18(14-17)15-23(29-21)20-4-3-5-25(34-2)26(20)28;1-32-9-11-33(12-10-32)19-4-8-24-26(15-19)31-27(30-24)17-3-7-23-18(13-17)14-25(29-23)21-6-5-20(34-2)16-22(21)28;1-32-10-12-33(13-11-32)19-7-9-22-24(16-19)31-27(30-22)17-6-8-21-18(14-17)15-23(29-21)20-4-3-5-25(34-2)26(20)28/h4-9,14-15,17,33H,3,10-13,16H2,1-2H3;4-9,14-16,18,32H,3,10-13,17H2,1-2H3;4-9,14,16-17H,10-13,15H2,1-3H3,(H,31,32);4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,31,32);3-9,14,16H,10-13,15H2,1-2H3,(H,30,31);3-8,13,15-16H,9-12,14H2,1-2H3,(H,30,31);3-9,14,16H,10-13,15H2,1-2H3,(H,30,31)
InChIKeyMMGRUTVEMPJXKK-UHFFFAOYSA-N
MW3277.72 g/mol
LogP38.77
Rot. Bonds28

About 2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole

2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 159607553) has the molecular formula C195H192Cl4F4N34O3 and a molecular weight of 3277.72 g/mol. Its IUPAC name is 2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
PubChem CID159607553
Molecular FormulaC195H192Cl4F4N34O3
Molecular Weight3277.72 g/mol
Exact Mass3273.46
IUPAC Name2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCCc1ccc(C2=Nc3ccc(-c4cc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c(Cl)c1.CCc1ccc(C2=Nc3ccc(-c4cc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c(Cl)c1Cl.CCc1ccc(C2=Nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c(F)c1.CN1CCN(c2ccc3nc(-c4ccc5c(c4)CC(c4ccc(N(C)C)cc4F)=N5)[nH]c3c2)CC1.COc1ccc(C2=Nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c(F)c1.COc1cccc(C2=Nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c1Cl.COc1cccc(C2=Nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c1F
InChIInChI=1S/C29H28Cl2N4.C29H29ClN4.C28H29FN6.C28H28FN5.C27H26ClN5O.2C27H26FN5O/c1-3-18-5-8-23(29(31)28(18)30)27-16-21-14-19(6-9-24(21)32-27)25-15-20-4-7-22(17-26(20)33-25)35-12-10-34(2)11-13-35;1-3-19-4-8-24(25(30)14-19)29-17-22-15-20(6-9-26(22)31-29)27-16-21-5-7-23(18-28(21)32-27)34-12-10-33(2)11-13-34;1-33(2)20-5-7-22(23(29)16-20)26-15-19-14-18(4-8-24(19)30-26)28-31-25-9-6-21(17-27(25)32-28)35-12-10-34(3)11-13-35;1-3-18-4-7-22(23(29)14-18)26-16-20-15-19(5-8-24(20)30-26)28-31-25-9-6-21(17-27(25)32-28)34-12-10-33(2)11-13-34;1-32-10-12-33(13-11-32)19-7-9-22-24(16-19)31-27(30-22)17-6-8-21-18(14-17)15-23(29-21)20-4-3-5-25(34-2)26(20)28;1-32-9-11-33(12-10-32)19-4-8-24-26(15-19)31-27(30-24)17-3-7-23-18(13-17)14-25(29-23)21-6-5-20(34-2)16-22(21)28;1-32-10-12-33(13-11-32)19-7-9-22-24(16-19)31-27(30-22)17-6-8-21-18(14-17)15-23(29-21)20-4-3-5-25(34-2)26(20)28/h4-9,14-15,17,33H,3,10-13,16H2,1-2H3;4-9,14-16,18,32H,3,10-13,17H2,1-2H3;4-9,14,16-17H,10-13,15H2,1-3H3,(H,31,32);4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,31,32);3-9,14,16H,10-13,15H2,1-2H3,(H,30,31);3-8,13,15-16H,9-12,14H2,1-2H3,(H,30,31);3-9,14,16H,10-13,15H2,1-2H3,(H,30,31)
InChIKeyMMGRUTVEMPJXKK-UHFFFAOYSA-N
XLogP38.77
TPSA337.79 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003277.72
LogP ≤ 538.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole with MolForge

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Related Compounds

5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)-3H-indole;5-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]-3H-indole;5-chloro-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-3H-indole;5,6-dichloro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-3H-indole;5,6-dichloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridine;5,6-dichloro-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3H-indole;5-fluoro-2-[4-(4-methylpiperazin-1-yl)phenyl]-3H-indole;5-fluoro-6-methyl-2-[4-(trifluoromethoxy)phenyl]-3H-indole;5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-3H-indole;2-[4-(4-methylpiperazin-1-yl)phenyl]-3H-imidazo[4,5-c]pyridine
CID 161179070
2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine
CID 158246822
(1R)-2-(3,4-dichlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(R)-(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-benzimidazol-2-yl)methanamine;(1R)-2-(2-fluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-(4-methoxyphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-naphthalen-2-yl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine
CID 160108297

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (CID 159607553) is 2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole is CCc1ccc(C2=Nc3ccc(-c4cc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c(Cl)c1.CCc1ccc(C2=Nc3ccc(-c4cc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c(Cl)c1Cl.CCc1ccc(C2=Nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c(F)c1.CN1CCN(c2ccc3nc(-c4ccc5c(c4)CC(c4ccc(N(C)C)cc4F)=N5)[nH]c3c2)CC1.COc1ccc(C2=Nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c(F)c1.COc1cccc(C2=Nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c1Cl.COc1cccc(C2=Nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3C2)c1F.
What is the InChIKey of 2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is MMGRUTVEMPJXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N4.C29H29ClN4.C28H29FN6.C28H28FN5.C27H26ClN5O.2C27H26FN5O/c1-3-18-5-8-23(29(31)28(18)30)27-16-21-14-19(6-9-24(21)32-27)25-15-20-4-7-22(17-26(20)33-25)35-12-10-34(2)11-13-35;1-3-19-4-8-24(25(30)14-19)29-17-22-15-20(6-9-26(22)31-29)27-16-21-5-7-23(18-28(21)32-27)34-12-10-33(2)11-13-34;1-33(2)20-5-7-22(23(29)16-20)26-15-19-14-18(4-8-24(19)30-26)28-31-25-9-6-21(17-27(25)32-28)35-12-10-34(3)11-13-35;1-3-18-4-7-22(23(29)14-18)26-16-20-15-19(5-8-24(20)30-26)28-31-25-9-6-21(17-27(25)32-28)34-12-10-33(2)11-13-34;1-32-10-12-33(13-11-32)19-7-9-22-24(16-19)31-27(30-22)17-6-8-21-18(14-17)15-23(29-21)20-4-3-5-25(34-2)26(20)28;1-32-9-11-33(12-10-32)19-4-8-24-26(15-19)31-27(30-24)17-3-7-23-18(13-17)14-25(29-23)21-6-5-20(34-2)16-22(21)28;1-32-10-12-33(13-11-32)19-7-9-22-24(16-19)31-27(30-22)17-6-8-21-18(14-17)15-23(29-21)20-4-3-5-25(34-2)26(20)28/h4-9,14-15,17,33H,3,10-13,16H2,1-2H3;4-9,14-16,18,32H,3,10-13,17H2,1-2H3;4-9,14,16-17H,10-13,15H2,1-3H3,(H,31,32);4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,31,32);3-9,14,16H,10-13,15H2,1-2H3,(H,30,31);3-8,13,15-16H,9-12,14H2,1-2H3,(H,30,31);3-9,14,16H,10-13,15H2,1-2H3,(H,30,31).
What are the key properties of 2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 3277.72 g/mol, XLogP of 38.77, 28 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(2-chloro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-(2,3-dichloro-4-ethylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-3H-indole;2-[2-(4-ethyl-2-fluorophenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;3-fluoro-N,N-dimethyl-4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-indol-2-yl]aniline;2-[2-(2-fluoro-3-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[2-(2-fluoro-4-methoxyphenyl)-3H-indol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 159607553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).