4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine

C128H144BrCl7F4N22O2 — CID 159084753

IUPAC4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine
SMILESCN(CCCO)Cc1cc(Cl)cc2c1nc(N1CCNCC1)n2Cc1ccc(F)c(Cl)c1.CNCc1c(C)c(C)cc2c1nc(N1CCCCC1)n2Cc1cc(C)c(F)c(C)c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(-c4ccc(CN)cc4)cc(Cl)cc32)cc(C)c1F.Cc1ccc(Cn2c(N3CCCCC3)nc3c(CN(C)CCO)cc(Cl)cc32)cc1Cl.Fc1ccc(Cn2c(N3CCCCC3)nc3c(-c4ccnn4-c4ccc(Br)cc4)cc(Cl)cc32)cc1Cl
InChIInChI=1S/C28H23BrCl2FN5.C28H30ClFN4.C25H33FN4.C24H30Cl2N4O.C23H28Cl2FN5O/c29-19-5-7-21(8-6-19)37-25(10-11-33-37)22-15-20(30)16-26-27(22)34-28(35-12-2-1-3-13-35)36(26)17-18-4-9-24(32)23(31)14-18;1-18-12-21(13-19(2)26(18)30)17-34-25-15-23(29)14-24(22-8-6-20(16-31)7-9-22)27(25)32-28(34)33-10-4-3-5-11-33;1-16-13-22-24(21(14-27-5)19(16)4)28-25(29-9-7-6-8-10-29)30(22)15-20-11-17(2)23(26)18(3)12-20;1-17-6-7-18(12-21(17)26)15-30-22-14-20(25)13-19(16-28(2)10-11-31)23(22)27-24(30)29-8-4-3-5-9-29;1-29(7-2-10-32)15-17-12-18(24)13-21-22(17)28-23(30-8-5-27-6-9-30)31(21)14-16-3-4-20(26)19(25)11-16/h4-11,14-16H,1-3,12-13,17H2;6-9,12-15H,3-5,10-11,16-17,31H2,1-2H3;11-13,27H,6-10,14-15H2,1-5H3;6-7,12-14,31H,3-5,8-11,15-16H2,1-2H3;3-4,11-13,27,32H,2,5-10,14-15H2,1H3
InChIKeyKBHPYOYEBRTYIN-UHFFFAOYSA-N
MW2426.78 g/mol
LogP28.78
Rot. Bonds30

About 4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine

4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine (PubChem CID 159084753) has the molecular formula C128H144BrCl7F4N22O2 and a molecular weight of 2426.78 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine
PubChem CID159084753
Molecular FormulaC128H144BrCl7F4N22O2
Molecular Weight2426.78 g/mol
Exact Mass2420.88
IUPAC Name4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine
SMILESCN(CCCO)Cc1cc(Cl)cc2c1nc(N1CCNCC1)n2Cc1ccc(F)c(Cl)c1.CNCc1c(C)c(C)cc2c1nc(N1CCCCC1)n2Cc1cc(C)c(F)c(C)c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(-c4ccc(CN)cc4)cc(Cl)cc32)cc(C)c1F.Cc1ccc(Cn2c(N3CCCCC3)nc3c(CN(C)CCO)cc(Cl)cc32)cc1Cl.Fc1ccc(Cn2c(N3CCCCC3)nc3c(-c4ccnn4-c4ccc(Br)cc4)cc(Cl)cc32)cc1Cl
InChIInChI=1S/C28H23BrCl2FN5.C28H30ClFN4.C25H33FN4.C24H30Cl2N4O.C23H28Cl2FN5O/c29-19-5-7-21(8-6-19)37-25(10-11-33-37)22-15-20(30)16-26-27(22)34-28(35-12-2-1-3-13-35)36(26)17-18-4-9-24(32)23(31)14-18;1-18-12-21(13-19(2)26(18)30)17-34-25-15-23(29)14-24(22-8-6-20(16-31)7-9-22)27(25)32-28(34)33-10-4-3-5-11-33;1-16-13-22-24(21(14-27-5)19(16)4)28-25(29-9-7-6-8-10-29)30(22)15-20-11-17(2)23(26)18(3)12-20;1-17-6-7-18(12-21(17)26)15-30-22-14-20(25)13-19(16-28(2)10-11-31)23(22)27-24(30)29-8-4-3-5-9-29;1-29(7-2-10-32)15-17-12-18(24)13-21-22(17)28-23(30-8-5-27-6-9-30)31(21)14-16-3-4-20(26)19(25)11-16/h4-11,14-16H,1-3,12-13,17H2;6-9,12-15H,3-5,10-11,16-17,31H2,1-2H3;11-13,27H,6-10,14-15H2,1-5H3;6-7,12-14,31H,3-5,8-11,15-16H2,1-2H3;3-4,11-13,27,32H,2,5-10,14-15H2,1H3
InChIKeyKBHPYOYEBRTYIN-UHFFFAOYSA-N
XLogP28.78
TPSA220.14 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002426.78
LogP ≤ 528.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine with MolForge

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Related Compounds

1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 157378604
N'-[4-[(S)-amino(phenyl)methyl]-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methylbenzimidazol-2-yl]ethane-1,2-diamine;4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]propan-1-amine
CID 157749790
3-chloro-4-propan-2-yl-1H-indole;5-chloro-4-propan-2-yl-1H-indole;3-chloro-4-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-chloro-4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;N-ethyl-N-[(4-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-3-yl)methyl]ethanamine;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;2-fluoro-4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;1-methyl-4-propan-2-ylindole;4-propan-2-yl-1H-benzimidazole;bis(4-propan-2-yl-1H-imidazo[4,5-c]pyridine);4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole-5-carbonitrile;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-[(4-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-3-yl)methyl]morpholine;bis(4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine);7-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 158965869
2-[5-[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]butan-1-amine;[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-N,N,6-trimethyl-2-piperazin-1-ylbenzimidazol-4-amine
CID 159959807
3-chloro-4-propan-2-yl-1H-indole;5-chloro-4-propan-2-yl-1H-indole;3-chloro-4-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-chloro-4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;N-ethyl-N-[(4-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-3-yl)methyl]ethanamine;2-fluoro-4-propan-2-yl-1H-indole;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;2-fluoro-4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;bis(4-propan-2-yl-1H-imidazo[4,5-c]pyridine);4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indol-2-amine;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole-5-carbonitrile;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-[(4-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-3-yl)methyl]morpholine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;7-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 160626600
5-chloro-1-methyl-7-propan-2-ylindazole;5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-methyl-5-propan-2-ylindole
CID 161757815
6-Chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-yl-4-(pyrrolidin-1-ylmethyl)benzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,5-dimethylpyrazol-3-yl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-methylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)benzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole
CID 162255183

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine (CID 159084753) is 4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine is CN(CCCO)Cc1cc(Cl)cc2c1nc(N1CCNCC1)n2Cc1ccc(F)c(Cl)c1.CNCc1c(C)c(C)cc2c1nc(N1CCCCC1)n2Cc1cc(C)c(F)c(C)c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(-c4ccc(CN)cc4)cc(Cl)cc32)cc(C)c1F.Cc1ccc(Cn2c(N3CCCCC3)nc3c(CN(C)CCO)cc(Cl)cc32)cc1Cl.Fc1ccc(Cn2c(N3CCCCC3)nc3c(-c4ccnn4-c4ccc(Br)cc4)cc(Cl)cc32)cc1Cl.
What is the InChIKey of 4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine?
The InChIKey is KBHPYOYEBRTYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrCl2FN5.C28H30ClFN4.C25H33FN4.C24H30Cl2N4O.C23H28Cl2FN5O/c29-19-5-7-21(8-6-19)37-25(10-11-33-37)22-15-20(30)16-26-27(22)34-28(35-12-2-1-3-13-35)36(26)17-18-4-9-24(32)23(31)14-18;1-18-12-21(13-19(2)26(18)30)17-34-25-15-23(29)14-24(22-8-6-20(16-31)7-9-22)27(25)32-28(34)33-10-4-3-5-11-33;1-16-13-22-24(21(14-27-5)19(16)4)28-25(29-9-7-6-8-10-29)30(22)15-20-11-17(2)23(26)18(3)12-20;1-17-6-7-18(12-21(17)26)15-30-22-14-20(25)13-19(16-28(2)10-11-31)23(22)27-24(30)29-8-4-3-5-9-29;1-29(7-2-10-32)15-17-12-18(24)13-21-22(17)28-23(30-8-5-27-6-9-30)31(21)14-16-3-4-20(26)19(25)11-16/h4-11,14-16H,1-3,12-13,17H2;6-9,12-15H,3-5,10-11,16-17,31H2,1-2H3;11-13,27H,6-10,14-15H2,1-5H3;6-7,12-14,31H,3-5,8-11,15-16H2,1-2H3;3-4,11-13,27,32H,2,5-10,14-15H2,1H3.
What are the key properties of 4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine?
4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine has a molecular weight of 2426.78 g/mol, XLogP of 28.78, 30 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)pyrazol-3-yl]-6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;3-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazol-4-yl]methyl-methylamino]propan-1-ol;2-[[6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl-methylamino]ethanol;[4-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 159084753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).