5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one

C17H16ClN3O — CID 134306285

IUPAC5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2nccn2Cc2ccccc2Cl)cn(C)c1=O
InChIInChI=1S/C17H16ClN3O/c1-12-9-14(10-20(2)17(12)22)16-19-7-8-21(16)11-13-5-3-4-6-15(13)18/h3-10H,11H2,1-2H3
InChIKeyXDYKFSFDPPZVOJ-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.26
Rot. Bonds3

About 5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one

5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one (PubChem CID 134306285) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one
PubChem CID134306285
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2nccn2Cc2ccccc2Cl)cn(C)c1=O
InChIInChI=1S/C17H16ClN3O/c1-12-9-14(10-20(2)17(12)22)16-19-7-8-21(16)11-13-5-3-4-6-15(13)18/h3-10H,11H2,1-2H3
InChIKeyXDYKFSFDPPZVOJ-UHFFFAOYSA-N
XLogP3.26
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one (CID 134306285) is 5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2nccn2Cc2ccccc2Cl)cn(C)c1=O.
What is the InChIKey of 5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is XDYKFSFDPPZVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-12-9-14(10-20(2)17(12)22)16-19-7-8-21(16)11-13-5-3-4-6-15(13)18/h3-10H,11H2,1-2H3.
What are the key properties of 5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one?
5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 313.79 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 134306285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).