[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole

C129H153Cl3F5N21O2 — CID 162209432

IUPAC[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole
SMILESCc1cc(-c2ccccc2OC(C)C)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(-n4ccc(N)c4)cc(Cl)cc32)cc(C)c1F.Cc1cc(N2CCC(N)CC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(N2CCNCC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.OCc1cc(Cl)cc2c1nc(N1CCCCC1)n2Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C31H36FN3O.C27H36FN5.C26H34FN5.C25H27ClFN5.C20H20Cl2FN3O/c1-20(2)36-28-12-8-7-11-25(28)26-15-21(3)16-27-30(26)33-31(34-13-9-6-10-14-34)35(27)19-24-17-22(4)29(32)23(5)18-24;1-18-13-23(31-11-7-22(29)8-12-31)26-24(14-18)33(27(30-26)32-9-5-4-6-10-32)17-21-15-19(2)25(28)20(3)16-21;1-18-13-22(30-11-7-28-8-12-30)25-23(14-18)32(26(29-25)31-9-5-4-6-10-31)17-21-15-19(2)24(27)20(3)16-21;1-16-10-18(11-17(2)23(16)27)14-32-22-13-19(26)12-21(31-9-6-20(28)15-31)24(22)29-25(32)30-7-4-3-5-8-30;21-15-9-14(12-27)19-18(10-15)26(11-13-4-5-17(23)16(22)8-13)20(24-19)25-6-2-1-3-7-25/h7-8,11-12,15-18,20H,6,9-10,13-14,19H2,1-5H3;13-16,22H,4-12,17,29H2,1-3H3;13-16,28H,4-12,17H2,1-3H3;6,9-13,15H,3-5,7-8,14,28H2,1-2H3;4-5,8-10,27H,1-3,6-7,11-12H2
InChIKeyZSQJGHPLKAVORU-UHFFFAOYSA-N
MW2231.14 g/mol
LogP28.08
Rot. Bonds22

About [6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole

[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole (PubChem CID 162209432) has the molecular formula C129H153Cl3F5N21O2 and a molecular weight of 2231.14 g/mol. Its IUPAC name is [6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole.

Molecular Properties

Compound Name[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole
PubChem CID162209432
Molecular FormulaC129H153Cl3F5N21O2
Molecular Weight2231.14 g/mol
Exact Mass2228.15
IUPAC Name[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole
SMILESCc1cc(-c2ccccc2OC(C)C)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(-n4ccc(N)c4)cc(Cl)cc32)cc(C)c1F.Cc1cc(N2CCC(N)CC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(N2CCNCC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.OCc1cc(Cl)cc2c1nc(N1CCCCC1)n2Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C31H36FN3O.C27H36FN5.C26H34FN5.C25H27ClFN5.C20H20Cl2FN3O/c1-20(2)36-28-12-8-7-11-25(28)26-15-21(3)16-27-30(26)33-31(34-13-9-6-10-14-34)35(27)19-24-17-22(4)29(32)23(5)18-24;1-18-13-23(31-11-7-22(29)8-12-31)26-24(14-18)33(27(30-26)32-9-5-4-6-10-32)17-21-15-19(2)25(28)20(3)16-21;1-18-13-22(30-11-7-28-8-12-30)25-23(14-18)32(26(29-25)31-9-5-4-6-10-31)17-21-15-19(2)24(27)20(3)16-21;1-16-10-18(11-17(2)23(16)27)14-32-22-13-19(26)12-21(31-9-6-20(28)15-31)24(22)29-25(32)30-7-4-3-5-8-30;21-15-9-14(12-27)19-18(10-15)26(11-13-4-5-17(23)16(22)8-13)20(24-19)25-6-2-1-3-7-25/h7-8,11-12,15-18,20H,6,9-10,13-14,19H2,1-5H3;13-16,22H,4-12,17,29H2,1-3H3;13-16,28H,4-12,17H2,1-3H3;6,9-13,15H,3-5,7-8,14,28H2,1-2H3;4-5,8-10,27H,1-3,6-7,11-12H2
InChIKeyZSQJGHPLKAVORU-UHFFFAOYSA-N
XLogP28.08
TPSA210.24 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002231.14
LogP ≤ 528.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze [6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole with MolForge

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Related Compounds

6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;[2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]methanol
CID 157668043
2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157738751
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine;bis(N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine);N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine
CID 158345766
6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine
CID 159151468
3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine
CID 159415470
2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 162079197
6-Chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-2-piperazin-1-ylbenzimidazole;4-(cyclohexen-1-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;4-cyclohexyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole;methane
CID 157085047
2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-pyridin-2-yl-4-pyridin-3-yl-1H-benzimidazole;2-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-1H-benzimidazole
CID 157150982
3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol
CID 157320320
CID 157418091
CID 157418091
Ethyl 6-chloro-1-[3-[[4-[3-(dimethylamino)propyl]piperazin-1-yl]methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-fluoroethyl 6-chloro-1-[4-(3-imidazol-1-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-chloro-1-[4-(2-methoxyethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-(3-imidazol-1-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 157432775
Ethyl 6-chloro-1-[3-[[4-[3-(dimethylamino)propyl]piperazin-1-yl]methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-fluoroethyl 6-chloro-1-[4-(3-imidazol-1-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-chloro-1-[4-(2-methoxyethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methoxyethyl 6-chloro-1-[4-(3-imidazol-1-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-(3-imidazol-1-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 158073768

Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole?
The IUPAC name of [6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole (CID 162209432) is [6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole.
What is the SMILES notation for [6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole?
The canonical SMILES for [6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole is Cc1cc(-c2ccccc2OC(C)C)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(-n4ccc(N)c4)cc(Cl)cc32)cc(C)c1F.Cc1cc(N2CCC(N)CC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(N2CCNCC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.OCc1cc(Cl)cc2c1nc(N1CCCCC1)n2Cc1ccc(F)c(Cl)c1.
What is the InChIKey of [6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole?
The InChIKey is ZSQJGHPLKAVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN3O.C27H36FN5.C26H34FN5.C25H27ClFN5.C20H20Cl2FN3O/c1-20(2)36-28-12-8-7-11-25(28)26-15-21(3)16-27-30(26)33-31(34-13-9-6-10-14-34)35(27)19-24-17-22(4)29(32)23(5)18-24;1-18-13-23(31-11-7-22(29)8-12-31)26-24(14-18)33(27(30-26)32-9-5-4-6-10-32)17-21-15-19(2)25(28)20(3)16-21;1-18-13-22(30-11-7-28-8-12-30)25-23(14-18)32(26(29-25)31-9-5-4-6-10-31)17-21-15-19(2)24(27)20(3)16-21;1-16-10-18(11-17(2)23(16)27)14-32-22-13-19(26)12-21(31-9-6-20(28)15-31)24(22)29-25(32)30-7-4-3-5-8-30;21-15-9-14(12-27)19-18(10-15)26(11-13-4-5-17(23)16(22)8-13)20(24-19)25-6-2-1-3-7-25/h7-8,11-12,15-18,20H,6,9-10,13-14,19H2,1-5H3;13-16,22H,4-12,17,29H2,1-3H3;13-16,28H,4-12,17H2,1-3H3;6,9-13,15H,3-5,7-8,14,28H2,1-2H3;4-5,8-10,27H,1-3,6-7,11-12H2.
What are the key properties of [6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole?
[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole has a molecular weight of 2231.14 g/mol, XLogP of 28.08, 22 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methanol;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole is sourced from PubChem (CID 162209432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).