1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine

C126H194N20OS — CID 158367700

IUPAC1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine
SMILESNC1(c2nc3ccccc3n2C2CCN(CC3CCCCCCC3)CC2)CCCC1.NC1(c2nc3ccccc3n2C2CCN(CC3CCCCCCC3)CC2)CCCCC1.NCCCc1nc2ccccc2n1C1CCN(CC2CCCCCCC2)CC1.O[C@H]1CN[C@H](c2nc3ccccc3n2C2CCN(CC3CCCCCCC3)CC2)C1.c1ccc2c(c1)nc([C@@H]1CSCN1)n2C1CCN(CC2CCCCCCC2)CC1
InChIInChI=1S/C27H42N4.C26H40N4.C25H38N4O.C24H36N4S.C24H38N4/c28-27(17-9-4-10-18-27)26-29-24-13-7-8-14-25(24)31(26)23-15-19-30(20-16-23)21-22-11-5-2-1-3-6-12-22;27-26(16-8-9-17-26)25-28-23-12-6-7-13-24(23)30(25)22-14-18-29(19-15-22)20-21-10-4-2-1-3-5-11-21;30-21-16-23(26-17-21)25-27-22-10-6-7-11-24(22)29(25)20-12-14-28(15-13-20)18-19-8-4-2-1-3-5-9-19;1-2-4-8-19(9-5-3-1)16-27-14-12-20(13-15-27)28-23-11-7-6-10-21(23)26-24(28)22-17-29-18-25-22;25-16-8-13-24-26-22-11-6-7-12-23(22)28(24)21-14-17-27(18-15-21)19-20-9-4-2-1-3-5-10-20/h7-8,13-14,22-23H,1-6,9-12,15-21,28H2;6-7,12-13,21-22H,1-5,8-11,14-20,27H2;6-7,10-11,19-21,23,26,30H,1-5,8-9,12-18H2;6-7,10-11,19-20,22,25H,1-5,8-9,12-18H2;6-7,11-12,20-21H,1-5,8-10,13-19,25H2/t;;21-,23+;22-;/m..10./s1
InChIKeyGUFQZYFSUAJKTK-FGCXWNBLSA-N
MW2037.14 g/mol
LogP26.64
Rot. Bonds22

About 1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine

1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine (PubChem CID 158367700) has the molecular formula C126H194N20OS and a molecular weight of 2037.14 g/mol. Its IUPAC name is 1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine.

Molecular Properties

Compound Name1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine
PubChem CID158367700
Molecular FormulaC126H194N20OS
Molecular Weight2037.14 g/mol
Exact Mass2035.55
IUPAC Name1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine
SMILESNC1(c2nc3ccccc3n2C2CCN(CC3CCCCCCC3)CC2)CCCC1.NC1(c2nc3ccccc3n2C2CCN(CC3CCCCCCC3)CC2)CCCCC1.NCCCc1nc2ccccc2n1C1CCN(CC2CCCCCCC2)CC1.O[C@H]1CN[C@H](c2nc3ccccc3n2C2CCN(CC3CCCCCCC3)CC2)C1.c1ccc2c(c1)nc([C@@H]1CSCN1)n2C1CCN(CC2CCCCCCC2)CC1
InChIInChI=1S/C27H42N4.C26H40N4.C25H38N4O.C24H36N4S.C24H38N4/c28-27(17-9-4-10-18-27)26-29-24-13-7-8-14-25(24)31(26)23-15-19-30(20-16-23)21-22-11-5-2-1-3-6-12-22;27-26(16-8-9-17-26)25-28-23-12-6-7-13-24(23)30(25)22-14-18-29(19-15-22)20-21-10-4-2-1-3-5-11-21;30-21-16-23(26-17-21)25-27-22-10-6-7-11-24(22)29(25)20-12-14-28(15-13-20)18-19-8-4-2-1-3-5-9-19;1-2-4-8-19(9-5-3-1)16-27-14-12-20(13-15-27)28-23-11-7-6-10-21(23)26-24(28)22-17-29-18-25-22;25-16-8-13-24-26-22-11-6-7-12-23(22)28(24)21-14-17-27(18-15-21)19-20-9-4-2-1-3-5-10-20/h7-8,13-14,22-23H,1-6,9-12,15-21,28H2;6-7,12-13,21-22H,1-5,8-11,14-20,27H2;6-7,10-11,19-21,23,26,30H,1-5,8-9,12-18H2;6-7,10-11,19-20,22,25H,1-5,8-9,12-18H2;6-7,11-12,20-21H,1-5,8-10,13-19,25H2/t;;21-,23+;22-;/m..10./s1
InChIKeyGUFQZYFSUAJKTK-FGCXWNBLSA-N
XLogP26.64
TPSA227.65 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002037.14
LogP ≤ 526.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine with MolForge

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Related Compounds

(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine
CID 86272619
4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine
CID 118877764
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-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole
CID 118877726
1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine
CID 61291804
1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one
CID 21186441
1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 136520142
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 65243114
1-[3-[4-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 75399301
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689106
1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine
CID 21268138

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine?
The IUPAC name of 1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine (CID 158367700) is 1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine.
What is the SMILES notation for 1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine?
The canonical SMILES for 1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine is NC1(c2nc3ccccc3n2C2CCN(CC3CCCCCCC3)CC2)CCCC1.NC1(c2nc3ccccc3n2C2CCN(CC3CCCCCCC3)CC2)CCCCC1.NCCCc1nc2ccccc2n1C1CCN(CC2CCCCCCC2)CC1.O[C@H]1CN[C@H](c2nc3ccccc3n2C2CCN(CC3CCCCCCC3)CC2)C1.c1ccc2c(c1)nc([C@@H]1CSCN1)n2C1CCN(CC2CCCCCCC2)CC1.
What is the InChIKey of 1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine?
The InChIKey is GUFQZYFSUAJKTK-FGCXWNBLSA-N. The full InChI is InChI=1S/C27H42N4.C26H40N4.C25H38N4O.C24H36N4S.C24H38N4/c28-27(17-9-4-10-18-27)26-29-24-13-7-8-14-25(24)31(26)23-15-19-30(20-16-23)21-22-11-5-2-1-3-6-12-22;27-26(16-8-9-17-26)25-28-23-12-6-7-13-24(23)30(25)22-14-18-29(19-15-22)20-21-10-4-2-1-3-5-11-21;30-21-16-23(26-17-21)25-27-22-10-6-7-11-24(22)29(25)20-12-14-28(15-13-20)18-19-8-4-2-1-3-5-9-19;1-2-4-8-19(9-5-3-1)16-27-14-12-20(13-15-27)28-23-11-7-6-10-21(23)26-24(28)22-17-29-18-25-22;25-16-8-13-24-26-22-11-6-7-12-23(22)28(24)21-14-17-27(18-15-21)19-20-9-4-2-1-3-5-10-20/h7-8,13-14,22-23H,1-6,9-12,15-21,28H2;6-7,12-13,21-22H,1-5,8-11,14-20,27H2;6-7,10-11,19-21,23,26,30H,1-5,8-9,12-18H2;6-7,10-11,19-20,22,25H,1-5,8-9,12-18H2;6-7,11-12,20-21H,1-5,8-10,13-19,25H2/t;;21-,23+;22-;/m..10./s1.
What are the key properties of 1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine?
1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine has a molecular weight of 2037.14 g/mol, XLogP of 26.64, 22 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine is sourced from PubChem (CID 158367700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).