3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one

C17H17N3O2 — CID 10357144

IUPAC3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one
SMILESCOc1ccccc1-c1cccn(Cc2nc[nH]c2C)c1=O
InChIInChI=1S/C17H17N3O2/c1-12-15(19-11-18-12)10-20-9-5-7-14(17(20)21)13-6-3-4-8-16(13)22-2/h3-9,11H,10H2,1-2H3,(H,18,19)
InChIKeyKNBPKPSPONVFFN-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.60
Rot. Bonds4

About 3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one

3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one (PubChem CID 10357144) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one
PubChem CID10357144
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one
SMILESCOc1ccccc1-c1cccn(Cc2nc[nH]c2C)c1=O
InChIInChI=1S/C17H17N3O2/c1-12-15(19-11-18-12)10-20-9-5-7-14(17(20)21)13-6-3-4-8-16(13)22-2/h3-9,11H,10H2,1-2H3,(H,18,19)
InChIKeyKNBPKPSPONVFFN-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 3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one (CID 10357144) is 3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one is COc1ccccc1-c1cccn(Cc2nc[nH]c2C)c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
The InChIKey is KNBPKPSPONVFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-15(19-11-18-12)10-20-9-5-7-14(17(20)21)13-6-3-4-8-16(13)22-2/h3-9,11H,10H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]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 3-(2-methoxyphenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 10357144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).