5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one

C10H11N3O — CID 134306034

IUPAC5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ncc[nH]2)cn(C)c1=O
InChIInChI=1S/C10H11N3O/c1-7-5-8(6-13(2)10(7)14)9-11-3-4-12-9/h3-6H,1-2H3,(H,11,12)
InChIKeyAUCQGHRRPRBJDE-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.08
Rot. Bonds1

About 5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one

5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one (PubChem CID 134306034) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one
PubChem CID134306034
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ncc[nH]2)cn(C)c1=O
InChIInChI=1S/C10H11N3O/c1-7-5-8(6-13(2)10(7)14)9-11-3-4-12-9/h3-6H,1-2H3,(H,11,12)
InChIKeyAUCQGHRRPRBJDE-UHFFFAOYSA-N
XLogP1.08
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one (CID 134306034) is 5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one is Cc1cc(-c2ncc[nH]2)cn(C)c1=O.
What is the InChIKey of 5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one?
The InChIKey is AUCQGHRRPRBJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-5-8(6-13(2)10(7)14)9-11-3-4-12-9/h3-6H,1-2H3,(H,11,12).
What are the key properties of 5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one?
5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one has a molecular weight of 189.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 134306034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).