2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole

C98H121BrF2N22 — CID 163439179

IUPAC2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole
SMILESCN1CCN(c2cccc3[nH]c([C@H]4CCC[C@@H](c5ccccn5)N4C)nc23)CC1.CN1CCN(c2cccc3[nH]c([C@H]4CCC[C@@H](c5ncccc5Br)N4C)nc23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCc1ccccn1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CCCN2CCC(F)(F)CC2)N1C
InChIInChI=1S/C27H35F2N5.C25H27N5.C23H29BrN6.C23H30N6/c1-20-8-6-15-30-25(20)23-11-5-12-24(32(23)2)26-31-21-9-3-4-10-22(21)34(26)17-7-16-33-18-13-27(28,29)14-19-33;1-18-8-7-16-27-24(18)22-12-6-13-23(25-28-20-10-2-3-11-21(20)29-25)30(22)17-14-19-9-4-5-15-26-19;1-28-12-14-30(15-13-28)19-9-3-7-17-22(19)27-23(26-17)20-10-4-8-18(29(20)2)21-16(24)6-5-11-25-21;1-27-13-15-29(16-14-27)20-10-5-8-18-22(20)26-23(25-18)21-11-6-9-19(28(21)2)17-7-3-4-12-24-17/h3-4,6,8-10,15,23-24H,5,7,11-14,16-19H2,1-2H3;2-5,7-11,15-16,22-23H,6,12-14,17H2,1H3,(H,28,29);3,5-7,9,11,18,20H,4,8,10,12-15H2,1-2H3,(H,26,27);3-5,7-8,10,12,19,21H,6,9,11,13-16H2,1-2H3,(H,25,26)/t23-,24+;22-,23+;18-,20+;19-,21+/m0000/s1
InChIKeyAXBDRHUOUZMWFH-MDVOUXIISA-N
MW1725.10 g/mol
LogP18.91
Rot. Bonds17

About 2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole

2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole (PubChem CID 163439179) has the molecular formula C98H121BrF2N22 and a molecular weight of 1725.10 g/mol. Its IUPAC name is 2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole
PubChem CID163439179
Molecular FormulaC98H121BrF2N22
Molecular Weight1725.10 g/mol
Exact Mass1722.93
IUPAC Name2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole
SMILESCN1CCN(c2cccc3[nH]c([C@H]4CCC[C@@H](c5ccccn5)N4C)nc23)CC1.CN1CCN(c2cccc3[nH]c([C@H]4CCC[C@@H](c5ncccc5Br)N4C)nc23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCc1ccccn1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CCCN2CCC(F)(F)CC2)N1C
InChIInChI=1S/C27H35F2N5.C25H27N5.C23H29BrN6.C23H30N6/c1-20-8-6-15-30-25(20)23-11-5-12-24(32(23)2)26-31-21-9-3-4-10-22(21)34(26)17-7-16-33-18-13-27(28,29)14-19-33;1-18-8-7-16-27-24(18)22-12-6-13-23(25-28-20-10-2-3-11-21(20)29-25)30(22)17-14-19-9-4-5-15-26-19;1-28-12-14-30(15-13-28)19-9-3-7-17-22(19)27-23(26-17)20-10-4-8-18(29(20)2)21-16(24)6-5-11-25-21;1-27-13-15-29(16-14-27)20-10-5-8-18-22(20)26-23(25-18)21-11-6-9-19(28(21)2)17-7-3-4-12-24-17/h3-4,6,8-10,15,23-24H,5,7,11-14,16-19H2,1-2H3;2-5,7-11,15-16,22-23H,6,12-14,17H2,1H3,(H,28,29);3,5-7,9,11,18,20H,4,8,10,12-15H2,1-2H3,(H,26,27);3-5,7-8,10,12,19,21H,6,9,11,13-16H2,1-2H3,(H,25,26)/t23-,24+;22-,23+;18-,20+;19-,21+/m0000/s1
InChIKeyAXBDRHUOUZMWFH-MDVOUXIISA-N
XLogP18.91
TPSA197.47 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001725.10
LogP ≤ 518.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole with MolForge

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Launch Full Analysis

Related Compounds

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 138961919
2-(4-bromophenyl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine
CID 50907702
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; pyrazine; 2-(2-pyridyl)pyridine; ruthenium(2+); ruthenium(3+); trihexafluorophosphate
CID 11980900
6-bromo-2-[4-(piperazin-1-ylmethyl)phenyl]-7-[4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 25151219
6-bromo-2-(4-piperazin-1-ylphenyl)-7-[4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 25151592
bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 59456371
5-fluoro-6-[(2R,5S)-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-[2-(4-phenylpiperidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66630198
6-[(1S,2S)-1-[3,5-difluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-1-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-1-ium-2-yl]-5-fluoro-2-pyrrolidin-2-yl-1H-benzimidazole
CID 88920113
2-N'-[[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-N'-[6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]propane-2,2-diamine
CID 121249997
5-fluoro-6-[(2S,5S)-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-[2-(4-phenylpiperidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 123461488
4-(3a,4,6,6a-tetrahydro-3H-pyrrolo[2,3-c]pyrrol-5-yl)-2-[[7-[[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-2-(1,5-naphthyridin-3-ylmethyl)-9H-pyrimido[4,5-b]indol-8-yl]amino]methyl]-1,5-naphthyridin-3-yl]methyl]-6-fluoro-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
CID 123788773
N-[5-[[(3R)-4-ethyl-3-[3-[6-[2-[[5-[[(3R,5S)-4-ethyl-3,5-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-4-fluoro-2-methylbenzimidazol-1-yl]butyl]piperazin-1-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 145006852

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole (CID 163439179) is 2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole is CN1CCN(c2cccc3[nH]c([C@H]4CCC[C@@H](c5ccccn5)N4C)nc23)CC1.CN1CCN(c2cccc3[nH]c([C@H]4CCC[C@@H](c5ncccc5Br)N4C)nc23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCc1ccccn1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CCCN2CCC(F)(F)CC2)N1C.
What is the InChIKey of 2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole?
The InChIKey is AXBDRHUOUZMWFH-MDVOUXIISA-N. The full InChI is InChI=1S/C27H35F2N5.C25H27N5.C23H29BrN6.C23H30N6/c1-20-8-6-15-30-25(20)23-11-5-12-24(32(23)2)26-31-21-9-3-4-10-22(21)34(26)17-7-16-33-18-13-27(28,29)14-19-33;1-18-8-7-16-27-24(18)22-12-6-13-23(25-28-20-10-2-3-11-21(20)29-25)30(22)17-14-19-9-4-5-15-26-19;1-28-12-14-30(15-13-28)19-9-3-7-17-22(19)27-23(26-17)20-10-4-8-18(29(20)2)21-16(24)6-5-11-25-21;1-27-13-15-29(16-14-27)20-10-5-8-18-22(20)26-23(25-18)21-11-6-9-19(28(21)2)17-7-3-4-12-24-17/h3-4,6,8-10,15,23-24H,5,7,11-14,16-19H2,1-2H3;2-5,7-11,15-16,22-23H,6,12-14,17H2,1H3,(H,28,29);3,5-7,9,11,18,20H,4,8,10,12-15H2,1-2H3,(H,26,27);3-5,7-8,10,12,19,21H,6,9,11,13-16H2,1-2H3,(H,25,26)/t23-,24+;22-,23+;18-,20+;19-,21+/m0000/s1.
What are the key properties of 2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole?
2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole has a molecular weight of 1725.10 g/mol, XLogP of 18.91, 17 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 163439179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).