4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine

C24H36N4S — CID 118877764

IUPAC4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine
SMILESc1ccc2c(c1)nc(C1CSCN1)n2C1CCN(CC2CCCCCCC2)CC1
InChIInChI=1S/C24H36N4S/c1-2-4-8-19(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/h6-7,10-11,19-20,22,25H,1-5,8-9,12-18H2
InChIKeyDNKDJYKYTGGWQW-UHFFFAOYSA-N
MW412.65 g/mol
LogP5.37
Rot. Bonds4

About 4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine

4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine (PubChem CID 118877764) has the molecular formula C24H36N4S and a molecular weight of 412.65 g/mol. Its IUPAC name is 4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine.

Molecular Properties

Compound Name4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine
PubChem CID118877764
Molecular FormulaC24H36N4S
Molecular Weight412.65 g/mol
Exact Mass412.27
IUPAC Name4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine
SMILESc1ccc2c(c1)nc(C1CSCN1)n2C1CCN(CC2CCCCCCC2)CC1
InChIInChI=1S/C24H36N4S/c1-2-4-8-19(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/h6-7,10-11,19-20,22,25H,1-5,8-9,12-18H2
InChIKeyDNKDJYKYTGGWQW-UHFFFAOYSA-N
XLogP5.37
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.65
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine
CID 86272619
1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole
CID 118877726
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
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-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one
CID 21186441
3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 45237210
1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-(pyridin-4-ylmethyl)benzimidazol-2-one
CID 15908030
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole
CID 86275254
2-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]-1,3-benzothiazole
CID 86275729
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-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one
CID 21186512
1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole
CID 18324773

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine?
The IUPAC name of 4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine (CID 118877764) is 4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine.
What is the SMILES notation for 4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine?
The canonical SMILES for 4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine is c1ccc2c(c1)nc(C1CSCN1)n2C1CCN(CC2CCCCCCC2)CC1.
What is the InChIKey of 4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine?
The InChIKey is DNKDJYKYTGGWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4S/c1-2-4-8-19(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/h6-7,10-11,19-20,22,25H,1-5,8-9,12-18H2.
What are the key properties of 4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine?
4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine has a molecular weight of 412.65 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine is sourced from PubChem (CID 118877764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).