5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one

C23H26N4O2 — CID 134316049

IUPAC5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2nc(C(=O)N3CCCCC3)cn2Cc2ccccc2)cn(C)c1=O
InChIInChI=1S/C23H26N4O2/c1-17-13-19(15-25(2)22(17)28)21-24-20(23(29)26-11-7-4-8-12-26)16-27(21)14-18-9-5-3-6-10-18/h3,5-6,9-10,13,15-16H,4,7-8,11-12,14H2,1-2H3
InChIKeyVDKJLRJAGRRTJM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.23
Rot. Bonds4

About 5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one

5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one (PubChem CID 134316049) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one
PubChem CID134316049
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2nc(C(=O)N3CCCCC3)cn2Cc2ccccc2)cn(C)c1=O
InChIInChI=1S/C23H26N4O2/c1-17-13-19(15-25(2)22(17)28)21-24-20(23(29)26-11-7-4-8-12-26)16-27(21)14-18-9-5-3-6-10-18/h3,5-6,9-10,13,15-16H,4,7-8,11-12,14H2,1-2H3
InChIKeyVDKJLRJAGRRTJM-UHFFFAOYSA-N
XLogP3.23
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide
CID 134316237
4-[3-[1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazol-4-yl]-3-oxopropyl]cyclohexane-1-carboxylic acid
CID 159349128
5-(1-benzyl-4-phenylimidazol-2-yl)-1,3-dimethylpyridin-2-one
CID 134306306
N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide
CID 138707816
azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109328241
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322452
5-benzyl-2-(piperidine-1-carbonyl)thieno[3,2-c]pyridin-4-one
CID 53134849
6-benzyl-12-methyl-5-(pyrrolidine-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 4903860
[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone
CID 97447183
3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one
CID 47061607
azepan-1-yl-(5-benzyl-1H-pyrazol-3-yl)methanone
CID 169082729
1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione
CID 10758439

Frequently Asked Questions

What is the IUPAC name of 5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one (CID 134316049) is 5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2nc(C(=O)N3CCCCC3)cn2Cc2ccccc2)cn(C)c1=O.
What is the InChIKey of 5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is VDKJLRJAGRRTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-13-19(15-25(2)22(17)28)21-24-20(23(29)26-11-7-4-8-12-26)16-27(21)14-18-9-5-3-6-10-18/h3,5-6,9-10,13,15-16H,4,7-8,11-12,14H2,1-2H3.
What are the key properties of 5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one?
5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 390.49 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 134316049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).