4-piperidin-4-ylbenzimidazol-2-one

C12H13N3O — CID 69400164

IUPAC4-piperidin-4-ylbenzimidazol-2-one
SMILESO=C1N=c2cccc(C3CCNCC3)c2=N1
InChIInChI=1S/C12H13N3O/c16-12-14-10-3-1-2-9(11(10)15-12)8-4-6-13-7-5-8/h1-3,8,13H,4-7H2
InChIKeyYNSQOGQSMGPFOE-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.53
Rot. Bonds1

About 4-piperidin-4-ylbenzimidazol-2-one

4-piperidin-4-ylbenzimidazol-2-one (PubChem CID 69400164) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-piperidin-4-ylbenzimidazol-2-one.

Molecular Properties

Compound Name4-piperidin-4-ylbenzimidazol-2-one
PubChem CID69400164
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-piperidin-4-ylbenzimidazol-2-one
SMILESO=C1N=c2cccc(C3CCNCC3)c2=N1
InChIInChI=1S/C12H13N3O/c16-12-14-10-3-1-2-9(11(10)15-12)8-4-6-13-7-5-8/h1-3,8,13H,4-7H2
InChIKeyYNSQOGQSMGPFOE-UHFFFAOYSA-N
XLogP0.53
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylbenzimidazol-2-one?
The IUPAC name of 4-piperidin-4-ylbenzimidazol-2-one (CID 69400164) is 4-piperidin-4-ylbenzimidazol-2-one.
What is the SMILES notation for 4-piperidin-4-ylbenzimidazol-2-one?
The canonical SMILES for 4-piperidin-4-ylbenzimidazol-2-one is O=C1N=c2cccc(C3CCNCC3)c2=N1.
What is the InChIKey of 4-piperidin-4-ylbenzimidazol-2-one?
The InChIKey is YNSQOGQSMGPFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12-14-10-3-1-2-9(11(10)15-12)8-4-6-13-7-5-8/h1-3,8,13H,4-7H2.
What are the key properties of 4-piperidin-4-ylbenzimidazol-2-one?
4-piperidin-4-ylbenzimidazol-2-one has a molecular weight of 215.26 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylbenzimidazol-2-one is sourced from PubChem (CID 69400164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).