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)

C128H195ClN20O4S2 — CID 158407111

IUPAC2-(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)
SMILESCc1ccc2c(c1)nc(C1CNC1)n2C1CCN(CC2CCCCCCC2)CC1.Cc1ccc2c(c1)nc([C@@H]1CCCNC1)n2C1CCN(CC2CCCCCCC2)CC1.Cc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(CC2CCCCCCC2)CC1.Cc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(CC2CCCCCCC2)CC1.Clc1ccc2c(c1)nc(C1CNC1)n2C1CCN(CC2CCCCCCC2)CC1.O=S=O.O=S=O
InChIInChI=1S/C27H42N4.2C26H40N4.C25H38N4.C24H35ClN4.2O2S/c1-21-11-12-26-25(18-21)29-27(23-10-7-15-28-19-23)31(26)24-13-16-30(17-14-24)20-22-8-5-3-2-4-6-9-22;2*1-20-9-10-25-24(17-20)28-26(22-11-14-27-18-22)30(25)23-12-15-29(16-13-23)19-21-7-5-3-2-4-6-8-21;1-19-9-10-24-23(15-19)27-25(21-16-26-17-21)29(24)22-11-13-28(14-12-22)18-20-7-5-3-2-4-6-8-20;25-20-8-9-23-22(14-20)27-24(19-15-26-16-19)29(23)21-10-12-28(13-11-21)17-18-6-4-2-1-3-5-7-18;2*1-3-2/h11-12,18,22-24,28H,2-10,13-17,19-20H2,1H3;2*9-10,17,21-23,27H,2-8,11-16,18-19H2,1H3;9-10,15,20-22,26H,2-8,11-14,16-18H2,1H3;8-9,14,18-19,21,26H,1-7,10-13,15-17H2;;/t23-;2*22-;;;;/m111..../s1
InChIKeyGYVKZBKDBZXDIU-AISWOFTHSA-N
MW2177.69 g/mol
LogP25.71
Rot. Bonds20

About 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)

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) (PubChem CID 158407111) has the molecular formula C128H195ClN20O4S2 and a molecular weight of 2177.69 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2-(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)
PubChem CID158407111
Molecular FormulaC128H195ClN20O4S2
Molecular Weight2177.69 g/mol
Exact Mass2175.48
IUPAC Name2-(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)
SMILESCc1ccc2c(c1)nc(C1CNC1)n2C1CCN(CC2CCCCCCC2)CC1.Cc1ccc2c(c1)nc([C@@H]1CCCNC1)n2C1CCN(CC2CCCCCCC2)CC1.Cc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(CC2CCCCCCC2)CC1.Cc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(CC2CCCCCCC2)CC1.Clc1ccc2c(c1)nc(C1CNC1)n2C1CCN(CC2CCCCCCC2)CC1.O=S=O.O=S=O
InChIInChI=1S/C27H42N4.2C26H40N4.C25H38N4.C24H35ClN4.2O2S/c1-21-11-12-26-25(18-21)29-27(23-10-7-15-28-19-23)31(26)24-13-16-30(17-14-24)20-22-8-5-3-2-4-6-9-22;2*1-20-9-10-25-24(17-20)28-26(22-11-14-27-18-22)30(25)23-12-15-29(16-13-23)19-21-7-5-3-2-4-6-8-21;1-19-9-10-24-23(15-19)27-25(21-16-26-17-21)29(24)22-11-13-28(14-12-22)18-20-7-5-3-2-4-6-8-20;25-20-8-9-23-22(14-20)27-24(19-15-26-16-19)29(23)21-10-12-28(13-11-21)17-18-6-4-2-1-3-5-7-18;2*1-3-2/h11-12,18,22-24,28H,2-10,13-17,19-20H2,1H3;2*9-10,17,21-23,27H,2-8,11-16,18-19H2,1H3;9-10,15,20-22,26H,2-8,11-14,16-18H2,1H3;8-9,14,18-19,21,26H,1-7,10-13,15-17H2;;/t23-;2*22-;;;;/m111..../s1
InChIKeyGYVKZBKDBZXDIU-AISWOFTHSA-N
XLogP25.71
TPSA233.73 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002177.69
LogP ≤ 525.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 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) with MolForge

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Related Compounds

1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole
CID 118877726
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
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-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 54920145
1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 82333331
2,5-dimethyl-1-piperidin-3-ylbenzimidazole
CID 84793055
5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole
CID 63719848
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
CID 63044205
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
2,5-dimethyl-1-pyrrolidin-3-ylbenzimidazole
CID 84784214

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Cc1ccc2c(c1)nc(C1CNC1)n2C1CCN(CC2CCCCCCC2)CC1.Cc1ccc2c(c1)nc([C@@H]1CCCNC1)n2C1CCN(CC2CCCCCCC2)CC1.Cc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(CC2CCCCCCC2)CC1.Cc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(CC2CCCCCCC2)CC1.Clc1ccc2c(c1)nc(C1CNC1)n2C1CCN(CC2CCCCCCC2)CC1.O=S=O.O=S=O.
What is the InChIKey of 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)?
The InChIKey is GYVKZBKDBZXDIU-AISWOFTHSA-N. The full InChI is InChI=1S/C27H42N4.2C26H40N4.C25H38N4.C24H35ClN4.2O2S/c1-21-11-12-26-25(18-21)29-27(23-10-7-15-28-19-23)31(26)24-13-16-30(17-14-24)20-22-8-5-3-2-4-6-9-22;2*1-20-9-10-25-24(17-20)28-26(22-11-14-27-18-22)30(25)23-12-15-29(16-13-23)19-21-7-5-3-2-4-6-8-21;1-19-9-10-24-23(15-19)27-25(21-16-26-17-21)29(24)22-11-13-28(14-12-22)18-20-7-5-3-2-4-6-8-20;25-20-8-9-23-22(14-20)27-24(19-15-26-16-19)29(23)21-10-12-28(13-11-21)17-18-6-4-2-1-3-5-7-18;2*1-3-2/h11-12,18,22-24,28H,2-10,13-17,19-20H2,1H3;2*9-10,17,21-23,27H,2-8,11-16,18-19H2,1H3;9-10,15,20-22,26H,2-8,11-14,16-18H2,1H3;8-9,14,18-19,21,26H,1-7,10-13,15-17H2;;/t23-;2*22-;;;;/m111..../s1.
What are the key properties of 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)?
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) has a molecular weight of 2177.69 g/mol, XLogP of 25.71, 20 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158407111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).