2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide

C20H28N4O2 — CID 46879992

IUPAC2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCCC3)CC2)c2ccccc21
InChIInChI=1S/C20H28N4O2/c1-21-19(25)14-23-17-8-4-5-9-18(17)24(20(23)26)16-10-12-22(13-11-16)15-6-2-3-7-15/h4-5,8-9,15-16H,2-3,6-7,10-14H2,1H3,(H,21,25)
InChIKeyDJJKPUGBUZJPET-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.13
Rot. Bonds4

About 2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide

2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide (PubChem CID 46879992) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide
PubChem CID46879992
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCCC3)CC2)c2ccccc21
InChIInChI=1S/C20H28N4O2/c1-21-19(25)14-23-17-8-4-5-9-18(17)24(20(23)26)16-10-12-22(13-11-16)15-6-2-3-7-15/h4-5,8-9,15-16H,2-3,6-7,10-14H2,1H3,(H,21,25)
InChIKeyDJJKPUGBUZJPET-UHFFFAOYSA-N
XLogP2.13
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide (CID 46879992) is 2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC3)CC2)c2ccccc21.
What is the InChIKey of 2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The InChIKey is DJJKPUGBUZJPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-21-19(25)14-23-17-8-4-5-9-18(17)24(20(23)26)16-10-12-22(13-11-16)15-6-2-3-7-15/h4-5,8-9,15-16H,2-3,6-7,10-14H2,1H3,(H,21,25).
What are the key properties of 2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide?
2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide has a molecular weight of 356.47 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopentylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 46879992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).