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

C12H15N3O2 — CID 84796017

IUPAC4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2n1C1CCNCC1
InChIInChI=1S/C12H15N3O2/c16-10-3-1-2-9-11(10)15(12(17)14-9)8-4-6-13-7-5-8/h1-3,8,13,16H,4-7H2,(H,14,17)
InChIKeyNIESXMGVVGFUEV-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.96
Rot. Bonds1

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

4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one (PubChem CID 84796017) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
PubChem CID84796017
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2n1C1CCNCC1
InChIInChI=1S/C12H15N3O2/c16-10-3-1-2-9-11(10)15(12(17)14-9)8-4-6-13-7-5-8/h1-3,8,13,16H,4-7H2,(H,14,17)
InChIKeyNIESXMGVVGFUEV-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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Related Compounds

4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380690
4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117208560
3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one
CID 22928768
4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117208712
4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one
CID 84642973
4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one
CID 117208718
3-(1,1-dioxothian-3-yl)-4-hydroxy-1H-benzimidazol-2-one
CID 117208714
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
4-bromo-3-cyclopropyl-1H-benzimidazol-2-one
CID 83843837
5-fluoro-3-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazol-2-one;hydrochloride
CID 172968627
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one
CID 84797339

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one?
The IUPAC name of 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one (CID 84796017) is 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one?
The canonical SMILES for 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one is O=c1[nH]c2cccc(O)c2n1C1CCNCC1.
What is the InChIKey of 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one?
The InChIKey is NIESXMGVVGFUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-10-3-1-2-9-11(10)15(12(17)14-9)8-4-6-13-7-5-8/h1-3,8,13,16H,4-7H2,(H,14,17).
What are the key properties of 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one?
4-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 4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 84796017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).