4-(3-methylpiperidin-4-yl)benzimidazol-2-one

C13H15N3O — CID 54152352

IUPAC4-(3-methylpiperidin-4-yl)benzimidazol-2-one
SMILESCC1CNCCC1c1cccc2c1=NC(=O)N=2
InChIInChI=1S/C13H15N3O/c1-8-7-14-6-5-9(8)10-3-2-4-11-12(10)16-13(17)15-11/h2-4,8-9,14H,5-7H2,1H3
InChIKeyOIPOQXJITYMRLI-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.77
Rot. Bonds1

About 4-(3-methylpiperidin-4-yl)benzimidazol-2-one

4-(3-methylpiperidin-4-yl)benzimidazol-2-one (PubChem CID 54152352) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(3-methylpiperidin-4-yl)benzimidazol-2-one.

Molecular Properties

Compound Name4-(3-methylpiperidin-4-yl)benzimidazol-2-one
PubChem CID54152352
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(3-methylpiperidin-4-yl)benzimidazol-2-one
SMILESCC1CNCCC1c1cccc2c1=NC(=O)N=2
InChIInChI=1S/C13H15N3O/c1-8-7-14-6-5-9(8)10-3-2-4-11-12(10)16-13(17)15-11/h2-4,8-9,14H,5-7H2,1H3
InChIKeyOIPOQXJITYMRLI-UHFFFAOYSA-N
XLogP0.77
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-4-yl)benzimidazol-2-one?
The IUPAC name of 4-(3-methylpiperidin-4-yl)benzimidazol-2-one (CID 54152352) is 4-(3-methylpiperidin-4-yl)benzimidazol-2-one.
What is the SMILES notation for 4-(3-methylpiperidin-4-yl)benzimidazol-2-one?
The canonical SMILES for 4-(3-methylpiperidin-4-yl)benzimidazol-2-one is CC1CNCCC1c1cccc2c1=NC(=O)N=2.
What is the InChIKey of 4-(3-methylpiperidin-4-yl)benzimidazol-2-one?
The InChIKey is OIPOQXJITYMRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-7-14-6-5-9(8)10-3-2-4-11-12(10)16-13(17)15-11/h2-4,8-9,14H,5-7H2,1H3.
What are the key properties of 4-(3-methylpiperidin-4-yl)benzimidazol-2-one?
4-(3-methylpiperidin-4-yl)benzimidazol-2-one has a molecular weight of 229.28 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-4-yl)benzimidazol-2-one is sourced from PubChem (CID 54152352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).