2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole

C109H144F6N20 — CID 163507978

IUPAC2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole
SMILESCCN1[C@@H](c2nc3ccccc3n2CC2CCN(C)CC2)CCC[C@H]1c1ncccc1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CC2CCN(C(C)C)CC2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CC2CCN(C)CC2)N1CC(F)(F)F.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CC2CCN(CC(F)(F)F)CC2)N1C
InChIInChI=1S/C28H39N5.2C27H34F3N5.C27H37N5/c1-20(2)32-17-14-22(15-18-32)19-33-24-11-6-5-10-23(24)30-28(33)26-13-7-12-25(31(26)4)27-21(3)9-8-16-29-27;1-19-7-6-14-31-25(19)23-10-5-11-24(33(23)2)26-32-21-8-3-4-9-22(21)35(26)17-20-12-15-34(16-13-20)18-27(28,29)30;1-19-7-6-14-31-25(19)23-10-5-11-24(35(23)18-27(28,29)30)26-32-21-8-3-4-9-22(21)34(26)17-20-12-15-33(2)16-13-20;1-4-31-24(26-20(2)9-8-16-28-26)12-7-13-25(31)27-29-22-10-5-6-11-23(22)32(27)19-21-14-17-30(3)18-15-21/h5-6,8-11,16,20,22,25-26H,7,12-15,17-19H2,1-4H3;2*3-4,6-9,14,20,23-24H,5,10-13,15-18H2,1-2H3;5-6,8-11,16,21,24-25H,4,7,12-15,17-19H2,1-3H3/t25-,26+;2*23-,24+;24-,25+/m0000/s1
InChIKeyDAEKGHSVJABCGA-RBNMFALHSA-N
MW1848.48 g/mol
LogP22.95
Rot. Bonds20

About 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole

2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole (PubChem CID 163507978) has the molecular formula C109H144F6N20 and a molecular weight of 1848.48 g/mol. Its IUPAC name is 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole.

Molecular Properties

Compound Name2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole
PubChem CID163507978
Molecular FormulaC109H144F6N20
Molecular Weight1848.48 g/mol
Exact Mass1847.18
IUPAC Name2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole
SMILESCCN1[C@@H](c2nc3ccccc3n2CC2CCN(C)CC2)CCC[C@H]1c1ncccc1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CC2CCN(C(C)C)CC2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CC2CCN(C)CC2)N1CC(F)(F)F.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CC2CCN(CC(F)(F)F)CC2)N1C
InChIInChI=1S/C28H39N5.2C27H34F3N5.C27H37N5/c1-20(2)32-17-14-22(15-18-32)19-33-24-11-6-5-10-23(24)30-28(33)26-13-7-12-25(31(26)4)27-21(3)9-8-16-29-27;1-19-7-6-14-31-25(19)23-10-5-11-24(33(23)2)26-32-21-8-3-4-9-22(21)35(26)17-20-12-15-34(16-13-20)18-27(28,29)30;1-19-7-6-14-31-25(19)23-10-5-11-24(35(23)18-27(28,29)30)26-32-21-8-3-4-9-22(21)34(26)17-20-12-15-33(2)16-13-20;1-4-31-24(26-20(2)9-8-16-28-26)12-7-13-25(31)27-29-22-10-5-6-11-23(22)32(27)19-21-14-17-30(3)18-15-21/h5-6,8-11,16,20,22,25-26H,7,12-15,17-19H2,1-4H3;2*3-4,6-9,14,20,23-24H,5,10-13,15-18H2,1-2H3;5-6,8-11,16,21,24-25H,4,7,12-15,17-19H2,1-3H3/t25-,26+;2*23-,24+;24-,25+/m0000/s1
InChIKeyDAEKGHSVJABCGA-RBNMFALHSA-N
XLogP22.95
TPSA148.76 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001848.48
LogP ≤ 522.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole with MolForge

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Related Compounds

(8S)-N-methyl-N-[[1-[[(3S)-1-(3-pyridylmethyl)-3-piperidyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11547495
2-methyl-1-(8-(2-(4-phenyl-1-(pyrimidin-2-yl)piperidin-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzo[d]imidazole
CID 44573097
US9725449, Example 264
CID 122686605
1-[2-(4-Fluorophenyl)ethyl]-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole
CID 53300344
1-(Cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole
CID 90644542
1-Benzyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole
CID 90644543
US9725449, Example 260
CID 122686339
1-Benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole
CID 53383488
8-(3-Benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
CID 155809517
1-(2-Diethylaminoethylamino)-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile; 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71591193
6,8-Bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
CID 155812502
6-(1-Cyclohexylbenzimidazol-5-yl)-8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
CID 155812505

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole?
The IUPAC name of 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole (CID 163507978) is 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole.
What is the SMILES notation for 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole?
The canonical SMILES for 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole is CCN1[C@@H](c2nc3ccccc3n2CC2CCN(C)CC2)CCC[C@H]1c1ncccc1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CC2CCN(C(C)C)CC2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CC2CCN(C)CC2)N1CC(F)(F)F.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CC2CCN(CC(F)(F)F)CC2)N1C.
What is the InChIKey of 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole?
The InChIKey is DAEKGHSVJABCGA-RBNMFALHSA-N. The full InChI is InChI=1S/C28H39N5.2C27H34F3N5.C27H37N5/c1-20(2)32-17-14-22(15-18-32)19-33-24-11-6-5-10-23(24)30-28(33)26-13-7-12-25(31(26)4)27-21(3)9-8-16-29-27;1-19-7-6-14-31-25(19)23-10-5-11-24(33(23)2)26-32-21-8-3-4-9-22(21)35(26)17-20-12-15-34(16-13-20)18-27(28,29)30;1-19-7-6-14-31-25(19)23-10-5-11-24(35(23)18-27(28,29)30)26-32-21-8-3-4-9-22(21)34(26)17-20-12-15-33(2)16-13-20;1-4-31-24(26-20(2)9-8-16-28-26)12-7-13-25(31)27-29-22-10-5-6-11-23(22)32(27)19-21-14-17-30(3)18-15-21/h5-6,8-11,16,20,22,25-26H,7,12-15,17-19H2,1-4H3;2*3-4,6-9,14,20,23-24H,5,10-13,15-18H2,1-2H3;5-6,8-11,16,21,24-25H,4,7,12-15,17-19H2,1-3H3/t25-,26+;2*23-,24+;24-,25+/m0000/s1.
What are the key properties of 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole?
2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole has a molecular weight of 1848.48 g/mol, XLogP of 22.95, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole is sourced from PubChem (CID 163507978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).