6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one

C12H15N3O2 — CID 83415288

IUPAC6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(O)ccc2n1C1CCNCC1
InChIInChI=1S/C12H15N3O2/c16-9-1-2-11-10(7-9)14-12(17)15(11)8-3-5-13-6-4-8/h1-2,7-8,13,16H,3-6H2,(H,14,17)
InChIKeyFQIUFSKELQMYPA-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.96
Rot. Bonds1

About 6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one

6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one (PubChem CID 83415288) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
PubChem CID83415288
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(O)ccc2n1C1CCNCC1
InChIInChI=1S/C12H15N3O2/c16-9-1-2-11-10(7-9)14-12(17)15(11)8-3-5-13-6-4-8/h1-2,7-8,13,16H,3-6H2,(H,14,17)
InChIKeyFQIUFSKELQMYPA-UHFFFAOYSA-N
XLogP0.96
TPSA70.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one (CID 83415288) is 6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one is O=c1[nH]c2cc(O)ccc2n1C1CCNCC1.
What is the InChIKey of 6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one?
The InChIKey is FQIUFSKELQMYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-9-1-2-11-10(7-9)14-12(17)15(11)8-3-5-13-6-4-8/h1-2,7-8,13,16H,3-6H2,(H,14,17).
What are the key properties of 6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one?
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 83415288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).