5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one

C20H24N4O — CID 171908399

IUPAC5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCc1ccc2nc(CN3CCC(Cc4ccc(=O)[nH]c4)CC3)[nH]c2c1
InChIInChI=1S/C20H24N4O/c1-14-2-4-17-18(10-14)23-19(22-17)13-24-8-6-15(7-9-24)11-16-3-5-20(25)21-12-16/h2-5,10,12,15H,6-9,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyGSQLFIKWOBENDS-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.01
Rot. Bonds4

About 5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one

5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one (PubChem CID 171908399) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
PubChem CID171908399
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCc1ccc2nc(CN3CCC(Cc4ccc(=O)[nH]c4)CC3)[nH]c2c1
InChIInChI=1S/C20H24N4O/c1-14-2-4-17-18(10-14)23-19(22-17)13-24-8-6-15(7-9-24)11-16-3-5-20(25)21-12-16/h2-5,10,12,15H,6-9,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyGSQLFIKWOBENDS-UHFFFAOYSA-N
XLogP3.01
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one (CID 171908399) is 5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one is Cc1ccc2nc(CN3CCC(Cc4ccc(=O)[nH]c4)CC3)[nH]c2c1.
What is the InChIKey of 5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The InChIKey is GSQLFIKWOBENDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-2-4-17-18(10-14)23-19(22-17)13-24-8-6-15(7-9-24)11-16-3-5-20(25)21-12-16/h2-5,10,12,15H,6-9,11,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 171908399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).