3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one

C9H9N3O — CID 68784221

IUPAC3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one
SMILESCc1ccncc1-n1cc[nH]c1=O
InChIInChI=1S/C9H9N3O/c1-7-2-3-10-6-8(7)12-5-4-11-9(12)13/h2-6H,1H3,(H,11,13)
InChIKeyGOOGMLNHTFHHBQ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.87
Rot. Bonds1

About 3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one

3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one (PubChem CID 68784221) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one
PubChem CID68784221
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one
SMILESCc1ccncc1-n1cc[nH]c1=O
InChIInChI=1S/C9H9N3O/c1-7-2-3-10-6-8(7)12-5-4-11-9(12)13/h2-6H,1H3,(H,11,13)
InChIKeyGOOGMLNHTFHHBQ-UHFFFAOYSA-N
XLogP0.87
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methyl-3-pyridinyl)-1H-imidazol-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 3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one?
The IUPAC name of 3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one (CID 68784221) is 3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one is Cc1ccncc1-n1cc[nH]c1=O.
What is the InChIKey of 3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one?
The InChIKey is GOOGMLNHTFHHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-7-2-3-10-6-8(7)12-5-4-11-9(12)13/h2-6H,1H3,(H,11,13).
What are the key properties of 3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one?
3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one has a molecular weight of 175.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one is sourced from PubChem (CID 68784221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).