5-(4-methylbenzimidazol-1-yl)piperidin-2-one

C13H15N3O — CID 174265023

IUPAC5-(4-methylbenzimidazol-1-yl)piperidin-2-one
SMILESCc1cccc2c1ncn2C1CCC(=O)NC1
InChIInChI=1S/C13H15N3O/c1-9-3-2-4-11-13(9)15-8-16(11)10-5-6-12(17)14-7-10/h2-4,8,10H,5-7H2,1H3,(H,14,17)
InChIKeyVZHXLHHOJUAYGW-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.80
Rot. Bonds1

About 5-(4-methylbenzimidazol-1-yl)piperidin-2-one

5-(4-methylbenzimidazol-1-yl)piperidin-2-one (PubChem CID 174265023) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(4-methylbenzimidazol-1-yl)piperidin-2-one.

Molecular Properties

Compound Name5-(4-methylbenzimidazol-1-yl)piperidin-2-one
PubChem CID174265023
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-(4-methylbenzimidazol-1-yl)piperidin-2-one
SMILESCc1cccc2c1ncn2C1CCC(=O)NC1
InChIInChI=1S/C13H15N3O/c1-9-3-2-4-11-13(9)15-8-16(11)10-5-6-12(17)14-7-10/h2-4,8,10H,5-7H2,1H3,(H,14,17)
InChIKeyVZHXLHHOJUAYGW-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-methylbenzimidazol-1-yl)piperidin-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 5-(4-methylbenzimidazol-1-yl)piperidin-2-one?
The IUPAC name of 5-(4-methylbenzimidazol-1-yl)piperidin-2-one (CID 174265023) is 5-(4-methylbenzimidazol-1-yl)piperidin-2-one.
What is the SMILES notation for 5-(4-methylbenzimidazol-1-yl)piperidin-2-one?
The canonical SMILES for 5-(4-methylbenzimidazol-1-yl)piperidin-2-one is Cc1cccc2c1ncn2C1CCC(=O)NC1.
What is the InChIKey of 5-(4-methylbenzimidazol-1-yl)piperidin-2-one?
The InChIKey is VZHXLHHOJUAYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-3-2-4-11-13(9)15-8-16(11)10-5-6-12(17)14-7-10/h2-4,8,10H,5-7H2,1H3,(H,14,17).
What are the key properties of 5-(4-methylbenzimidazol-1-yl)piperidin-2-one?
5-(4-methylbenzimidazol-1-yl)piperidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylbenzimidazol-1-yl)piperidin-2-one is sourced from PubChem (CID 174265023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).