1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole

C22H32N4 — CID 118877726

IUPAC1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole
SMILESc1ccc2c(c1)nc(C1CCNC1)n2C1CCN(CC2CCCC2)CC1
InChIInChI=1S/C22H32N4/c1-2-6-17(5-1)16-25-13-10-19(11-14-25)26-21-8-4-3-7-20(21)24-22(26)18-9-12-23-15-18/h3-4,7-8,17-19,23H,1-2,5-6,9-16H2
InChIKeyLUFZABLOYYANIS-UHFFFAOYSA-N
MW352.53 g/mol
LogP3.94
Rot. Bonds4

About 1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole

1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole (PubChem CID 118877726) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole
PubChem CID118877726
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole
SMILESc1ccc2c(c1)nc(C1CCNC1)n2C1CCN(CC2CCCC2)CC1
InChIInChI=1S/C22H32N4/c1-2-6-17(5-1)16-25-13-10-19(11-14-25)26-21-8-4-3-7-20(21)24-22(26)18-9-12-23-15-18/h3-4,7-8,17-19,23H,1-2,5-6,9-16H2
InChIKeyLUFZABLOYYANIS-UHFFFAOYSA-N
XLogP3.94
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole?
The IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole (CID 118877726) is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole?
The canonical SMILES for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole is c1ccc2c(c1)nc(C1CCNC1)n2C1CCN(CC2CCCC2)CC1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole?
The InChIKey is LUFZABLOYYANIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4/c1-2-6-17(5-1)16-25-13-10-19(11-14-25)26-21-8-4-3-7-20(21)24-22(26)18-9-12-23-15-18/h3-4,7-8,17-19,23H,1-2,5-6,9-16H2.
What are the key properties of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole?
1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole has a molecular weight of 352.53 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole is sourced from PubChem (CID 118877726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).