4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one

C21H16FN3O — CID 22574151

IUPAC4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one
SMILESCc1ccccc1-c1nc(-c2cc[nH]c(=O)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C21H16FN3O/c1-13-4-2-3-5-17(13)21-24-19(14-6-8-16(22)9-7-14)20(25-21)15-10-11-23-18(26)12-15/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyNWBOMSONMGWTII-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.55
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one

4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one (PubChem CID 22574151) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one
PubChem CID22574151
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one
SMILESCc1ccccc1-c1nc(-c2cc[nH]c(=O)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C21H16FN3O/c1-13-4-2-3-5-17(13)21-24-19(14-6-8-16(22)9-7-14)20(25-21)15-10-11-23-18(26)12-15/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyNWBOMSONMGWTII-UHFFFAOYSA-N
XLogP4.55
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one (CID 22574151) is 4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one is Cc1ccccc1-c1nc(-c2cc[nH]c(=O)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one?
The InChIKey is NWBOMSONMGWTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-13-4-2-3-5-17(13)21-24-19(14-6-8-16(22)9-7-14)20(25-21)15-10-11-23-18(26)12-15/h2-12H,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one?
4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one has a molecular weight of 345.38 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 22574151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).