2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole

C123H179F7N20 — CID 159682323

IUPAC2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole
SMILESFc1ccc2nc(C3CNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1.Fc1ccc2nc(C3CNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1F.Fc1ccc2nc([C@@H]3CCNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1.Fc1ccc2nc([C@@H]3CCNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1F.Fc1ccc2nc([C@H]3CCNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1
InChIInChI=1S/C25H36F2N4.2C25H37FN4.C24H34F2N4.C24H35FN4/c26-21-8-9-22-24(23(21)27)31(25(29-22)19-10-13-28-16-19)20-11-14-30(15-12-20)17-18-6-4-2-1-3-5-7-18;2*26-21-8-9-23-24(16-21)30(25(28-23)20-10-13-27-17-20)22-11-14-29(15-12-22)18-19-6-4-2-1-3-5-7-19;25-20-8-9-21-23(22(20)26)30(24(28-21)18-14-27-15-18)19-10-12-29(13-11-19)16-17-6-4-2-1-3-5-7-17;25-20-8-9-22-23(14-20)29(24(27-22)19-15-26-16-19)21-10-12-28(13-11-21)17-18-6-4-2-1-3-5-7-18/h8-9,18-20,28H,1-7,10-17H2;2*8-9,16,19-20,22,27H,1-7,10-15,17-18H2;8-9,17-19,27H,1-7,10-16H2;8-9,14,18-19,21,26H,1-7,10-13,15-17H2/t19-;2*20-;;/m110../s1
InChIKeyMVIYYZMMBXFXRI-FZNLNBGWSA-N
MW2070.91 g/mol
LogP25.75
Rot. Bonds20

About 2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole

2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole (PubChem CID 159682323) has the molecular formula C123H179F7N20 and a molecular weight of 2070.91 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole
PubChem CID159682323
Molecular FormulaC123H179F7N20
Molecular Weight2070.91 g/mol
Exact Mass2069.45
IUPAC Name2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole
SMILESFc1ccc2nc(C3CNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1.Fc1ccc2nc(C3CNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1F.Fc1ccc2nc([C@@H]3CCNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1.Fc1ccc2nc([C@@H]3CCNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1F.Fc1ccc2nc([C@H]3CCNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1
InChIInChI=1S/C25H36F2N4.2C25H37FN4.C24H34F2N4.C24H35FN4/c26-21-8-9-22-24(23(21)27)31(25(29-22)19-10-13-28-16-19)20-11-14-30(15-12-20)17-18-6-4-2-1-3-5-7-18;2*26-21-8-9-23-24(16-21)30(25(28-23)20-10-13-27-17-20)22-11-14-29(15-12-22)18-19-6-4-2-1-3-5-7-19;25-20-8-9-21-23(22(20)26)30(24(28-21)18-14-27-15-18)19-10-12-29(13-11-19)16-17-6-4-2-1-3-5-7-17;25-20-8-9-22-23(14-20)29(24(27-22)19-15-26-16-19)21-10-12-28(13-11-21)17-18-6-4-2-1-3-5-7-18/h8-9,18-20,28H,1-7,10-17H2;2*8-9,16,19-20,22,27H,1-7,10-15,17-18H2;8-9,17-19,27H,1-7,10-16H2;8-9,14,18-19,21,26H,1-7,10-13,15-17H2/t19-;2*20-;;/m110../s1
InChIKeyMVIYYZMMBXFXRI-FZNLNBGWSA-N
XLogP25.75
TPSA165.45 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002070.91
LogP ≤ 525.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole with MolForge

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Related Compounds

1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole
CID 118877726
2-(azetidin-3-yl)-5-chloro-1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methylbenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-[(3R)-piperidin-3-yl]benzimidazole;bis(1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-[(3R)-pyrrolidin-3-yl]benzimidazole);bis(sulfur dioxide)
CID 158407111
2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole
CID 59360903
1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
CID 107070503
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane
CID 144722219
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole
CID 86275254
3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine
CID 63044383
4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine
CID 118877764
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]-1,3-benzothiazole
CID 86275729
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole?
The IUPAC name of 2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole (CID 159682323) is 2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole.
What is the SMILES notation for 2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole?
The canonical SMILES for 2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole is Fc1ccc2nc(C3CNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1.Fc1ccc2nc(C3CNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1F.Fc1ccc2nc([C@@H]3CCNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1.Fc1ccc2nc([C@@H]3CCNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1F.Fc1ccc2nc([C@H]3CCNC3)n(C3CCN(CC4CCCCCCC4)CC3)c2c1.
What is the InChIKey of 2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole?
The InChIKey is MVIYYZMMBXFXRI-FZNLNBGWSA-N. The full InChI is InChI=1S/C25H36F2N4.2C25H37FN4.C24H34F2N4.C24H35FN4/c26-21-8-9-22-24(23(21)27)31(25(29-22)19-10-13-28-16-19)20-11-14-30(15-12-20)17-18-6-4-2-1-3-5-7-18;2*26-21-8-9-23-24(16-21)30(25(28-23)20-10-13-27-17-20)22-11-14-29(15-12-22)18-19-6-4-2-1-3-5-7-19;25-20-8-9-21-23(22(20)26)30(24(28-21)18-14-27-15-18)19-10-12-29(13-11-19)16-17-6-4-2-1-3-5-7-17;25-20-8-9-22-23(14-20)29(24(27-22)19-15-26-16-19)21-10-12-28(13-11-21)17-18-6-4-2-1-3-5-7-18/h8-9,18-20,28H,1-7,10-17H2;2*8-9,16,19-20,22,27H,1-7,10-15,17-18H2;8-9,17-19,27H,1-7,10-16H2;8-9,14,18-19,21,26H,1-7,10-13,15-17H2/t19-;2*20-;;/m110../s1.
What are the key properties of 2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole?
2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole has a molecular weight of 2070.91 g/mol, XLogP of 25.75, 20 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluorobenzimidazole;2-(azetidin-3-yl)-1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluorobenzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6,7-difluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-(cyclooctylmethyl)piperidin-4-yl]-6-fluoro-2-[(3S)-pyrrolidin-3-yl]benzimidazole is sourced from PubChem (CID 159682323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).