1-methyl-3-pyridin-2-ylbenzimidazol-2-one

C13H11N3O — CID 3021477

IUPAC1-methyl-3-pyridin-2-ylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2ccccn2)c2ccccc21
InChIInChI=1S/C13H11N3O/c1-15-10-6-2-3-7-11(10)16(13(15)17)12-8-4-5-9-14-12/h2-9H,1H3
InChIKeyMHYIZODTUWUALB-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.72
Rot. Bonds1

About 1-methyl-3-pyridin-2-ylbenzimidazol-2-one

1-methyl-3-pyridin-2-ylbenzimidazol-2-one (PubChem CID 3021477) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-methyl-3-pyridin-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-pyridin-2-ylbenzimidazol-2-one
PubChem CID3021477
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name1-methyl-3-pyridin-2-ylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2ccccn2)c2ccccc21
InChIInChI=1S/C13H11N3O/c1-15-10-6-2-3-7-11(10)16(13(15)17)12-8-4-5-9-14-12/h2-9H,1H3
InChIKeyMHYIZODTUWUALB-UHFFFAOYSA-N
XLogP1.72
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-pyridin-2-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 1-methyl-3-pyridin-2-ylbenzimidazol-2-one?
The IUPAC name of 1-methyl-3-pyridin-2-ylbenzimidazol-2-one (CID 3021477) is 1-methyl-3-pyridin-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-pyridin-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-methyl-3-pyridin-2-ylbenzimidazol-2-one is Cn1c(=O)n(-c2ccccn2)c2ccccc21.
What is the InChIKey of 1-methyl-3-pyridin-2-ylbenzimidazol-2-one?
The InChIKey is MHYIZODTUWUALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-15-10-6-2-3-7-11(10)16(13(15)17)12-8-4-5-9-14-12/h2-9H,1H3.
What are the key properties of 1-methyl-3-pyridin-2-ylbenzimidazol-2-one?
1-methyl-3-pyridin-2-ylbenzimidazol-2-one has a molecular weight of 225.25 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridin-2-ylbenzimidazol-2-one is sourced from PubChem (CID 3021477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).