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

C107H127Cl3F3N17 — CID 162255183

IUPAC6-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
SMILESCc1cc(-c2c(C)c(C)cc3c2nc(N2CCCCC2)n3Cc2ccc(F)c(Cl)c2)n(C)n1.Cc1cc(-c2c(C)nn(C)c2C)c2nc(N3CCCCC3)n(Cc3ccc(C)c(Cl)c3)c2c1.Cc1cc(C2=CCCCC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(CN4CCCC4)cc(Cl)cc32)cc(C)c1F
InChIInChI=1S/C28H34FN3.C27H32ClN5.C26H29ClFN5.C26H32ClFN4/c1-19-14-24(23-10-6-4-7-11-23)27-25(15-19)32(28(30-27)31-12-8-5-9-13-31)18-22-16-20(2)26(29)21(3)17-22;1-17-13-22(25-19(3)30-31(5)20(25)4)26-24(14-17)33(16-21-10-9-18(2)23(28)15-21)27(29-26)32-11-7-6-8-12-32;1-16-12-23-25(24(18(16)3)22-13-17(2)30-31(22)4)29-26(32-10-6-5-7-11-32)33(23)15-19-8-9-21(28)20(27)14-19;1-18-12-20(13-19(2)24(18)28)16-32-23-15-22(27)14-21(17-30-8-6-7-9-30)25(23)29-26(32)31-10-4-3-5-11-31/h10,14-17H,4-9,11-13,18H2,1-3H3;9-10,13-15H,6-8,11-12,16H2,1-5H3;8-9,12-14H,5-7,10-11,15H2,1-4H3;12-15H,3-11,16-17H2,1-2H3
InChIKeyZYMQTXTXEQYLNF-UHFFFAOYSA-N
MW1814.66 g/mol
LogP25.73
Rot. Bonds17

About 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

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 (PubChem CID 162255183) has the molecular formula C107H127Cl3F3N17 and a molecular weight of 1814.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID162255183
Molecular FormulaC107H127Cl3F3N17
Molecular Weight1814.66 g/mol
Exact Mass1811.95
IUPAC Name6-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
SMILESCc1cc(-c2c(C)c(C)cc3c2nc(N2CCCCC2)n3Cc2ccc(F)c(Cl)c2)n(C)n1.Cc1cc(-c2c(C)nn(C)c2C)c2nc(N3CCCCC3)n(Cc3ccc(C)c(Cl)c3)c2c1.Cc1cc(C2=CCCCC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(CN4CCCC4)cc(Cl)cc32)cc(C)c1F
InChIInChI=1S/C28H34FN3.C27H32ClN5.C26H29ClFN5.C26H32ClFN4/c1-19-14-24(23-10-6-4-7-11-23)27-25(15-19)32(28(30-27)31-12-8-5-9-13-31)18-22-16-20(2)26(29)21(3)17-22;1-17-13-22(25-19(3)30-31(5)20(25)4)26-24(14-17)33(16-21-10-9-18(2)23(28)15-21)27(29-26)32-11-7-6-8-12-32;1-16-12-23-25(24(18(16)3)22-13-17(2)30-31(22)4)29-26(32-10-6-5-7-11-32)33(23)15-19-8-9-21(28)20(27)14-19;1-18-12-20(13-19(2)24(18)28)16-32-23-15-22(27)14-21(17-30-8-6-7-9-30)25(23)29-26(32)31-10-4-3-5-11-31/h10,14-17H,4-9,11-13,18H2,1-3H3;9-10,13-15H,6-8,11-12,16H2,1-5H3;8-9,12-14H,5-7,10-11,15H2,1-4H3;12-15H,3-11,16-17H2,1-2H3
InChIKeyZYMQTXTXEQYLNF-UHFFFAOYSA-N
XLogP25.73
TPSA123.12 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.66
LogP ≤ 525.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

2-[2-(8-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
CID 158840478
1-(4-chloro-2,5-dimethylphenyl)pyrrole;1-(5-chloro-2,4-dimethylphenyl)pyrrole;1-methyl-3-propan-2-ylbenzene;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrrole;5-[2-methyl-4-(trifluoromethyl)phenyl]-5H-tetrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 159205993
5-Chloro-1-(cyclopropylmethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;6-chloro-1-(cyclopropylmethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-[(2-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-(cyclopropylmethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]-5-(trifluoromethyl)benzimidazole;1-(cyclopropylmethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]-6-(trifluoromethyl)benzimidazole;1-[(2-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
CID 159417240
2-[2-(8-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
CID 160003142
2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 160579421
9-[6-(10-Anthracen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-chloropyrido[2,3-b]indole;5-[4-[4-[10-(4-chlorophenyl)anthracen-9-yl]phenyl]-3-methylphenyl]-8-phenylpyrido[4,3-b]indole;6-fluoro-5-[4-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]phenyl]pyrido[3,2-b]indole;9-[3-methyl-4-[4-[10-phenyl-2-(trifluoromethyl)anthracen-9-yl]phenyl]phenyl]pyrido[2,3-b]indole;9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphthalen-1-yl]pyrido[2,3-b]indole;5-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]pyrido[4,3-b]indole;5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrido[4,3-b]indole;9-[4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphthalen-1-yl]pyrido[3,4-b]indole
CID 162196597
3-tert-butyl-6-chloroimidazo[1,2-a]pyridine;6-tert-butyl-5-chloro-1H-indole;3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-7-fluoroimidazo[1,2-a]pyridine;5-tert-butyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;5-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-3-methylimidazo[1,2-a]pyridine;6-tert-butyl-2-methylimidazo[1,2-a]pyridine;6-tert-butyl-3-methylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine
CID 168386471
N-[[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]methyl]-N-ethylethanamine;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-N-methylmethanamine;(S)-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]-phenylmethanamine;(1S)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]prop-2-en-1-amine
CID 157141339
6-chloro-1-[(3-chloro-4-methylphenyl)methyl]-N-pyrrolidin-2-ylbenzimidazol-2-amine;N'-[1-[(3-chloro-4-fluorophenyl)methyl]-4-(ethylaminomethyl)-5,6-dimethylbenzimidazol-2-yl]ethane-1,2-diamine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-5,6-dimethyl-2-piperidin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]-N,N-dimethylmethanamine
CID 157593560
2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3aH-benzo[e]benzimidazole;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
CID 157671048
N-(azetidin-3-ylmethyl)-1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine;6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole;1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-piperidin-1-ylbenzimidazole
CID 157677545
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2c(C)c(C)cc3c2nc(N2CCCCC2)n3Cc2ccc(F)c(Cl)c2)n(C)n1.Cc1cc(-c2c(C)nn(C)c2C)c2nc(N3CCCCC3)n(Cc3ccc(C)c(Cl)c3)c2c1.Cc1cc(C2=CCCCC2)c2nc(N3CCCCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.Cc1cc(Cn2c(N3CCCCC3)nc3c(CN4CCCC4)cc(Cl)cc32)cc(C)c1F.
What is the InChIKey of 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?
The InChIKey is ZYMQTXTXEQYLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3.C27H32ClN5.C26H29ClFN5.C26H32ClFN4/c1-19-14-24(23-10-6-4-7-11-23)27-25(15-19)32(28(30-27)31-12-8-5-9-13-31)18-22-16-20(2)26(29)21(3)17-22;1-17-13-22(25-19(3)30-31(5)20(25)4)26-24(14-17)33(16-21-10-9-18(2)23(28)15-21)27(29-26)32-11-7-6-8-12-32;1-16-12-23-25(24(18(16)3)22-13-17(2)30-31(22)4)29-26(32-10-6-5-7-11-32)33(23)15-19-8-9-21(28)20(27)14-19;1-18-12-20(13-19(2)24(18)28)16-32-23-15-22(27)14-21(17-30-8-6-7-9-30)25(23)29-26(32)31-10-4-3-5-11-31/h10,14-17H,4-9,11-13,18H2,1-3H3;9-10,13-15H,6-8,11-12,16H2,1-5H3;8-9,12-14H,5-7,10-11,15H2,1-4H3;12-15H,3-11,16-17H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1814.66 g/mol, XLogP of 25.73, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162255183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).