3-piperidin-4-ylbenzimidazol-5-ol

C12H15N3O — CID 84785387

IUPAC3-piperidin-4-ylbenzimidazol-5-ol
SMILESOc1ccc2ncn(C3CCNCC3)c2c1
InChIInChI=1S/C12H15N3O/c16-10-1-2-11-12(7-10)15(8-14-11)9-3-5-13-6-4-9/h1-2,7-9,13,16H,3-6H2
InChIKeyWORHRMLKYHHGHO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.67
Rot. Bonds1

About 3-piperidin-4-ylbenzimidazol-5-ol

3-piperidin-4-ylbenzimidazol-5-ol (PubChem CID 84785387) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-piperidin-4-ylbenzimidazol-5-ol.

Molecular Properties

Compound Name3-piperidin-4-ylbenzimidazol-5-ol
PubChem CID84785387
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-piperidin-4-ylbenzimidazol-5-ol
SMILESOc1ccc2ncn(C3CCNCC3)c2c1
InChIInChI=1S/C12H15N3O/c16-10-1-2-11-12(7-10)15(8-14-11)9-3-5-13-6-4-9/h1-2,7-9,13,16H,3-6H2
InChIKeyWORHRMLKYHHGHO-UHFFFAOYSA-N
XLogP1.67
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylbenzimidazol-5-ol?
The IUPAC name of 3-piperidin-4-ylbenzimidazol-5-ol (CID 84785387) is 3-piperidin-4-ylbenzimidazol-5-ol.
What is the SMILES notation for 3-piperidin-4-ylbenzimidazol-5-ol?
The canonical SMILES for 3-piperidin-4-ylbenzimidazol-5-ol is Oc1ccc2ncn(C3CCNCC3)c2c1.
What is the InChIKey of 3-piperidin-4-ylbenzimidazol-5-ol?
The InChIKey is WORHRMLKYHHGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-10-1-2-11-12(7-10)15(8-14-11)9-3-5-13-6-4-9/h1-2,7-9,13,16H,3-6H2.
What are the key properties of 3-piperidin-4-ylbenzimidazol-5-ol?
3-piperidin-4-ylbenzimidazol-5-ol has a molecular weight of 217.27 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylbenzimidazol-5-ol is sourced from PubChem (CID 84785387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).