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

C10H11N3O — CID 130909075

IUPAC3-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one
SMILESCc1cc(Cn2cc[nH]c2=O)ccn1
InChIInChI=1S/C10H11N3O/c1-8-6-9(2-3-11-8)7-13-5-4-12-10(13)14/h2-6H,7H2,1H3,(H,12,14)
InChIKeySVEZAIWSDXBBEC-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.93
Rot. Bonds2

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

3-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one (PubChem CID 130909075) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one
PubChem CID130909075
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one
SMILESCc1cc(Cn2cc[nH]c2=O)ccn1
InChIInChI=1S/C10H11N3O/c1-8-6-9(2-3-11-8)7-13-5-4-12-10(13)14/h2-6H,7H2,1H3,(H,12,14)
InChIKeySVEZAIWSDXBBEC-UHFFFAOYSA-N
XLogP0.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methyl-4-pyridinyl)methyl]-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-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one?
The IUPAC name of 3-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one (CID 130909075) is 3-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one is Cc1cc(Cn2cc[nH]c2=O)ccn1.
What is the InChIKey of 3-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one?
The InChIKey is SVEZAIWSDXBBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8-6-9(2-3-11-8)7-13-5-4-12-10(13)14/h2-6H,7H2,1H3,(H,12,14).
What are the key properties of 3-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one?
3-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one has a molecular weight of 189.22 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-pyridinyl)methyl]-1H-imidazol-2-one is sourced from PubChem (CID 130909075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).