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

C17H17N3O2 — CID 178078777

IUPAC4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(Cn3cncc3C)[nH]c(=O)c2)cc1
InChIInChI=1S/C17H17N3O2/c1-12-9-18-11-20(12)10-15-7-14(8-17(21)19-15)13-3-5-16(22-2)6-4-13/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyJVPCBSMQMLFDFV-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.60
Rot. Bonds4

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

4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 178078777) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one
PubChem CID178078777
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(Cn3cncc3C)[nH]c(=O)c2)cc1
InChIInChI=1S/C17H17N3O2/c1-12-9-18-11-20(12)10-15-7-14(8-17(21)19-15)13-3-5-16(22-2)6-4-13/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyJVPCBSMQMLFDFV-UHFFFAOYSA-N
XLogP2.60
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one (CID 178078777) is 4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one is COc1ccc(-c2cc(Cn3cncc3C)[nH]c(=O)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is JVPCBSMQMLFDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-9-18-11-20(12)10-15-7-14(8-17(21)19-15)13-3-5-16(22-2)6-4-13/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of 4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one?
4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 178078777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).