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

C10H10ClN3O — CID 134306047

IUPAC5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ncc(Cl)[nH]2)cn(C)c1=O
InChIInChI=1S/C10H10ClN3O/c1-6-3-7(5-14(2)10(6)15)9-12-4-8(11)13-9/h3-5H,1-2H3,(H,12,13)
InChIKeyPPYDVUQUENORAN-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.74
Rot. Bonds1

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

5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one (PubChem CID 134306047) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one
PubChem CID134306047
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ncc(Cl)[nH]2)cn(C)c1=O
InChIInChI=1S/C10H10ClN3O/c1-6-3-7(5-14(2)10(6)15)9-12-4-8(11)13-9/h3-5H,1-2H3,(H,12,13)
InChIKeyPPYDVUQUENORAN-UHFFFAOYSA-N
XLogP1.74
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one (CID 134306047) is 5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one is Cc1cc(-c2ncc(Cl)[nH]2)cn(C)c1=O.
What is the InChIKey of 5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one?
The InChIKey is PPYDVUQUENORAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6-3-7(5-14(2)10(6)15)9-12-4-8(11)13-9/h3-5H,1-2H3,(H,12,13).
What are the key properties of 5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one?
5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one has a molecular weight of 223.66 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 134306047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).