4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one

C13H17N3O2 — CID 117208718

IUPAC4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one
SMILESCN1CCCC(n2c(=O)[nH]c3cccc(O)c32)C1
InChIInChI=1S/C13H17N3O2/c1-15-7-3-4-9(8-15)16-12-10(14-13(16)18)5-2-6-11(12)17/h2,5-6,9,17H,3-4,7-8H2,1H3,(H,14,18)
InChIKeyMSXLOFUHTWIYLC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.30
Rot. Bonds1

About 4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one

4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one (PubChem CID 117208718) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one
PubChem CID117208718
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one
SMILESCN1CCCC(n2c(=O)[nH]c3cccc(O)c32)C1
InChIInChI=1S/C13H17N3O2/c1-15-7-3-4-9(8-15)16-12-10(14-13(16)18)5-2-6-11(12)17/h2,5-6,9,17H,3-4,7-8H2,1H3,(H,14,18)
InChIKeyMSXLOFUHTWIYLC-UHFFFAOYSA-N
XLogP1.30
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one (CID 117208718) is 4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one is CN1CCCC(n2c(=O)[nH]c3cccc(O)c32)C1.
What is the InChIKey of 4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one?
The InChIKey is MSXLOFUHTWIYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-7-3-4-9(8-15)16-12-10(14-13(16)18)5-2-6-11(12)17/h2,5-6,9,17H,3-4,7-8H2,1H3,(H,14,18).
What are the key properties of 4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one?
4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).