5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one

C17H16ClN3O — CID 134306292

IUPAC5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2nccn2Cc2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C17H16ClN3O/c1-12-9-14(11-20(2)17(12)22)16-19-7-8-21(16)10-13-3-5-15(18)6-4-13/h3-9,11H,10H2,1-2H3
InChIKeyKFIZSSYYPAMODW-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.26
Rot. Bonds3

About 5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one

5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one (PubChem CID 134306292) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one
PubChem CID134306292
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2nccn2Cc2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C17H16ClN3O/c1-12-9-14(11-20(2)17(12)22)16-19-7-8-21(16)10-13-3-5-15(18)6-4-13/h3-9,11H,10H2,1-2H3
InChIKeyKFIZSSYYPAMODW-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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Related Compounds

1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
CID 134306065
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
5-(1-benzyl-4-phenylimidazol-2-yl)-1,3-dimethylpyridin-2-one
CID 134306306
1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
CID 82562103
3-[[2-(4-chlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560578
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195
[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559625
1-benzyl-2-phenylimidazole;formic acid
CID 158419728
5-[4-(chloromethyl)-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134247830
4-[[2-(2,5-dichlorophenyl)imidazol-1-yl]methyl]aniline
CID 82559604
5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 134316049
2-[2-(3,4-dichlorophenyl)imidazol-1-yl]ethanamine
CID 82559612

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one (CID 134306292) is 5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2nccn2Cc2ccc(Cl)cc2)cn(C)c1=O.
What is the InChIKey of 5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is KFIZSSYYPAMODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-12-9-14(11-20(2)17(12)22)16-19-7-8-21(16)10-13-3-5-15(18)6-4-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one?
5-[1-[(4-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-[(4-chlorophenyl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 134306292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).