1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one

C21H16FN3O3 — CID 123190083

IUPAC1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCC(=O)c1nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2[nH]1
InChIInChI=1S/C21H16FN3O3/c1-13(26)21-23-18-7-6-16(10-19(18)24-21)25-9-8-17(11-20(25)27)28-12-14-2-4-15(22)5-3-14/h2-11H,12H2,1H3,(H,23,24)
InChIKeyHVUFVSJEBLNDII-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.63
Rot. Bonds5

About 1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one

1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 123190083) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
PubChem CID123190083
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCC(=O)c1nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2[nH]1
InChIInChI=1S/C21H16FN3O3/c1-13(26)21-23-18-7-6-16(10-19(18)24-21)25-9-8-17(11-20(25)27)28-12-14-2-4-15(22)5-3-14/h2-11H,12H2,1H3,(H,23,24)
InChIKeyHVUFVSJEBLNDII-UHFFFAOYSA-N
XLogP3.63
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one
CID 123504976
4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one
CID 69082097
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one
CID 123393938
ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate
CID 69084633
4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one
CID 123140464
1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 46911566
1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 58580266
4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
CID 24965117
1-[2-(2-hydroxyethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 69080163
1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 53476377
4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one
CID 69082594

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one (CID 123190083) is 1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one is CC(=O)c1nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2[nH]1.
What is the InChIKey of 1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is HVUFVSJEBLNDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-13(26)21-23-18-7-6-16(10-19(18)24-21)25-9-8-17(11-20(25)27)28-12-14-2-4-15(22)5-3-14/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of 1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one has a molecular weight of 377.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 123190083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).