3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one

C21H31N3O — CID 10783436

IUPAC3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1
InChIInChI=1S/C21H31N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,22,25)
InChIKeyJOVPNINDYCHWAC-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.33
Rot. Bonds3

About 3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 10783436) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID10783436
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1
InChIInChI=1S/C21H31N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,22,25)
InChIKeyJOVPNINDYCHWAC-UHFFFAOYSA-N
XLogP4.33
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 10783436) is 3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1.
What is the InChIKey of 3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is JOVPNINDYCHWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,22,25).
What are the key properties of 3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 341.50 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclooctylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 10783436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).