3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one

C18H19N3O3 — CID 178078786

IUPAC3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one
SMILESCOc1ccc(-c2ccc(Cn3cncc3C)[nH]c2=O)c(OC)c1
InChIInChI=1S/C18H19N3O3/c1-12-9-19-11-21(12)10-13-4-6-16(18(22)20-13)15-7-5-14(23-2)8-17(15)24-3/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyZECHXPHSMKLWSM-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.61
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one

3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 178078786) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one
PubChem CID178078786
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one
SMILESCOc1ccc(-c2ccc(Cn3cncc3C)[nH]c2=O)c(OC)c1
InChIInChI=1S/C18H19N3O3/c1-12-9-19-11-21(12)10-13-4-6-16(18(22)20-13)15-7-5-14(23-2)8-17(15)24-3/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyZECHXPHSMKLWSM-UHFFFAOYSA-N
XLogP2.61
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one (CID 178078786) is 3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one is COc1ccc(-c2ccc(Cn3cncc3C)[nH]c2=O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is ZECHXPHSMKLWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-9-19-11-21(12)10-13-4-6-16(18(22)20-13)15-7-5-14(23-2)8-17(15)24-3/h4-9,11H,10H2,1-3H3,(H,20,22).
What are the key properties of 3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one?
3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 325.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 178078786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).