4-piperidin-3-ylbenzimidazol-2-one

C12H13N3O — CID 67903373

IUPAC4-piperidin-3-ylbenzimidazol-2-one
SMILESO=C1N=c2cccc(C3CCCNC3)c2=N1
InChIInChI=1S/C12H13N3O/c16-12-14-10-5-1-4-9(11(10)15-12)8-3-2-6-13-7-8/h1,4-5,8,13H,2-3,6-7H2
InChIKeyCHAMMKCHQLNYGG-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.53
Rot. Bonds1

About 4-piperidin-3-ylbenzimidazol-2-one

4-piperidin-3-ylbenzimidazol-2-one (PubChem CID 67903373) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-piperidin-3-ylbenzimidazol-2-one.

Molecular Properties

Compound Name4-piperidin-3-ylbenzimidazol-2-one
PubChem CID67903373
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-piperidin-3-ylbenzimidazol-2-one
SMILESO=C1N=c2cccc(C3CCCNC3)c2=N1
InChIInChI=1S/C12H13N3O/c16-12-14-10-5-1-4-9(11(10)15-12)8-3-2-6-13-7-8/h1,4-5,8,13H,2-3,6-7H2
InChIKeyCHAMMKCHQLNYGG-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

Analyze 4-piperidin-3-ylbenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-ylbenzimidazol-2-one?
The IUPAC name of 4-piperidin-3-ylbenzimidazol-2-one (CID 67903373) is 4-piperidin-3-ylbenzimidazol-2-one.
What is the SMILES notation for 4-piperidin-3-ylbenzimidazol-2-one?
The canonical SMILES for 4-piperidin-3-ylbenzimidazol-2-one is O=C1N=c2cccc(C3CCCNC3)c2=N1.
What is the InChIKey of 4-piperidin-3-ylbenzimidazol-2-one?
The InChIKey is CHAMMKCHQLNYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12-14-10-5-1-4-9(11(10)15-12)8-3-2-6-13-7-8/h1,4-5,8,13H,2-3,6-7H2.
What are the key properties of 4-piperidin-3-ylbenzimidazol-2-one?
4-piperidin-3-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-3-ylbenzimidazol-2-one is sourced from PubChem (CID 67903373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).