4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole

C141H176N32 — CID 163846515

IUPAC4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3c(C4CCN(C)CC4)cccc3[nH]2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N4CCN(C)CC4)cccc3n2C)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)c3n2C)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCC#N.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCCC#N.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCCCC#N
InChIInChI=1S/2C25H34N6.C25H33N5.C23H27N5.C22H25N5.C21H23N5/c1-18-8-7-13-26-23(18)19-9-6-12-22(29(19)3)25-27-24-20(30(25)4)10-5-11-21(24)31-16-14-28(2)15-17-31;1-18-8-7-13-26-23(18)20-10-6-12-22(29(20)3)25-27-19-9-5-11-21(24(19)30(25)4)31-16-14-28(2)15-17-31;1-17-7-6-14-26-23(17)21-10-5-11-22(30(21)3)25-27-20-9-4-8-19(24(20)28-25)18-12-15-29(2)16-13-18;1-17-9-8-15-25-22(17)20-12-7-13-21(28(20)16-6-2-5-14-24)23-26-18-10-3-4-11-19(18)27-23;1-16-8-7-14-24-21(16)19-11-6-12-20(27(19)15-5-4-13-23)22-25-17-9-2-3-10-18(17)26-22;1-15-7-5-13-23-20(15)18-10-4-11-19(26(18)14-6-12-22)21-24-16-8-2-3-9-17(16)25-21/h5,7-8,10-11,13,19,22H,6,9,12,14-17H2,1-4H3;5,7-9,11,13,20,22H,6,10,12,14-17H2,1-4H3;4,6-9,14,18,21-22H,5,10-13,15-16H2,1-3H3,(H,27,28);3-4,8-11,15,20-21H,2,5-7,12-13,16H2,1H3,(H,26,27);2-3,7-10,14,19-20H,4-6,11-12,15H2,1H3,(H,25,26);2-3,5,7-9,13,18-19H,4,6,10-11,14H2,1H3,(H,24,25)/t19-,22+;20-,22+;21-,22+;20-,21+;19-,20+;18-,19+/m000000/s1
InChIKeyOQQULBKYPMNZCO-VUNVAIAYSA-N
MW2319.18 g/mol
LogP27.34
Rot. Bonds24

About 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole

4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole (PubChem CID 163846515) has the molecular formula C141H176N32 and a molecular weight of 2319.18 g/mol. Its IUPAC name is 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole
PubChem CID163846515
Molecular FormulaC141H176N32
Molecular Weight2319.18 g/mol
Exact Mass2317.48
IUPAC Name4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3c(C4CCN(C)CC4)cccc3[nH]2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N4CCN(C)CC4)cccc3n2C)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)c3n2C)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCC#N.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCCC#N.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCCCC#N
InChIInChI=1S/2C25H34N6.C25H33N5.C23H27N5.C22H25N5.C21H23N5/c1-18-8-7-13-26-23(18)19-9-6-12-22(29(19)3)25-27-24-20(30(25)4)10-5-11-21(24)31-16-14-28(2)15-17-31;1-18-8-7-13-26-23(18)20-10-6-12-22(29(20)3)25-27-19-9-5-11-21(24(19)30(25)4)31-16-14-28(2)15-17-31;1-17-7-6-14-26-23(17)21-10-5-11-22(30(21)3)25-27-20-9-4-8-19(24(20)28-25)18-12-15-29(2)16-13-18;1-17-9-8-15-25-22(17)20-12-7-13-21(28(20)16-6-2-5-14-24)23-26-18-10-3-4-11-19(18)27-23;1-16-8-7-14-24-21(16)19-11-6-12-20(27(19)15-5-4-13-23)22-25-17-9-2-3-10-18(17)26-22;1-15-7-5-13-23-20(15)18-10-4-11-19(26(18)14-6-12-22)21-24-16-8-2-3-9-17(16)25-21/h5,7-8,10-11,13,19,22H,6,9,12,14-17H2,1-4H3;5,7-9,11,13,20,22H,6,10,12,14-17H2,1-4H3;4,6-9,14,18,21-22H,5,10-13,15-16H2,1-3H3,(H,27,28);3-4,8-11,15,20-21H,2,5-7,12-13,16H2,1H3,(H,26,27);2-3,7-10,14,19-20H,4-6,11-12,15H2,1H3,(H,25,26);2-3,5,7-9,13,18-19H,4,6,10-11,14H2,1H3,(H,24,25)/t19-,22+;20-,22+;21-,22+;20-,21+;19-,20+;18-,19+/m000000/s1
InChIKeyOQQULBKYPMNZCO-VUNVAIAYSA-N
XLogP27.34
TPSA334.71 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002319.18
LogP ≤ 527.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 154620183
4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole
CID 145424203
2-[(2R,6S)-6-(3-ethyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-[4-(trideuteriomethyl)piperazin-1-yl]-1H-benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(trideuteriomethyl)piperidin-2-yl]-1H-benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trideuteriomethyl)-2-pyridinyl]piperidin-2-yl]-1H-benzimidazole
CID 163669173
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 145424263
4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 154620200
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole
CID 145424265
2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole
CID 155052477
4-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 145424480
5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile
CID 146555155
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-1-methyl-7-(4-methylpiperazin-1-yl)benzimidazole;4-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 159970479
N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
CID 145424316
N,N-dimethyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
CID 145424380

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole?
The IUPAC name of 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole (CID 163846515) is 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole?
The canonical SMILES for 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3c(C4CCN(C)CC4)cccc3[nH]2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N4CCN(C)CC4)cccc3n2C)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)c3n2C)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCC#N.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCCC#N.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCCCC#N.
What is the InChIKey of 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole?
The InChIKey is OQQULBKYPMNZCO-VUNVAIAYSA-N. The full InChI is InChI=1S/2C25H34N6.C25H33N5.C23H27N5.C22H25N5.C21H23N5/c1-18-8-7-13-26-23(18)19-9-6-12-22(29(19)3)25-27-24-20(30(25)4)10-5-11-21(24)31-16-14-28(2)15-17-31;1-18-8-7-13-26-23(18)20-10-6-12-22(29(20)3)25-27-19-9-5-11-21(24(19)30(25)4)31-16-14-28(2)15-17-31;1-17-7-6-14-26-23(17)21-10-5-11-22(30(21)3)25-27-20-9-4-8-19(24(20)28-25)18-12-15-29(2)16-13-18;1-17-9-8-15-25-22(17)20-12-7-13-21(28(20)16-6-2-5-14-24)23-26-18-10-3-4-11-19(18)27-23;1-16-8-7-14-24-21(16)19-11-6-12-20(27(19)15-5-4-13-23)22-25-17-9-2-3-10-18(17)26-22;1-15-7-5-13-23-20(15)18-10-4-11-19(26(18)14-6-12-22)21-24-16-8-2-3-9-17(16)25-21/h5,7-8,10-11,13,19,22H,6,9,12,14-17H2,1-4H3;5,7-9,11,13,20,22H,6,10,12,14-17H2,1-4H3;4,6-9,14,18,21-22H,5,10-13,15-16H2,1-3H3,(H,27,28);3-4,8-11,15,20-21H,2,5-7,12-13,16H2,1H3,(H,26,27);2-3,7-10,14,19-20H,4-6,11-12,15H2,1H3,(H,25,26);2-3,5,7-9,13,18-19H,4,6,10-11,14H2,1H3,(H,24,25)/t19-,22+;20-,22+;21-,22+;20-,21+;19-,20+;18-,19+/m000000/s1.
What are the key properties of 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole?
4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole has a molecular weight of 2319.18 g/mol, XLogP of 27.34, 24 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 163846515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).