3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one

C12H7F2N3O — CID 136966594

IUPAC3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1-c1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C12H7F2N3O/c13-7-1-2-8-11(10(7)14)17-12(16-8)6-5-15-4-3-9(6)18/h1-5H,(H,15,18)(H,16,17)
InChIKeyNMQOZBZSNASDNJ-UHFFFAOYSA-N
MW247.20 g/mol
LogP2.20
Rot. Bonds1

About 3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one

3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one (PubChem CID 136966594) has the molecular formula C12H7F2N3O and a molecular weight of 247.20 g/mol. Its IUPAC name is 3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one
PubChem CID136966594
Molecular FormulaC12H7F2N3O
Molecular Weight247.20 g/mol
Exact Mass247.06
IUPAC Name3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1-c1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C12H7F2N3O/c13-7-1-2-8-11(10(7)14)17-12(16-8)6-5-15-4-3-9(6)18/h1-5H,(H,15,18)(H,16,17)
InChIKeyNMQOZBZSNASDNJ-UHFFFAOYSA-N
XLogP2.20
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyridin-4-one
CID 136812530
3-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyridin-4-one
CID 136812536
3-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556475
2-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556617
5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556505
2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol
CID 136926473
2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole
CID 115911897
4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 115911920
2-chloro-4-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556537
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
4-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 136999132
2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911966

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one?
The IUPAC name of 3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one (CID 136966594) is 3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one is O=c1cc[nH]cc1-c1nc2c(F)c(F)ccc2[nH]1.
What is the InChIKey of 3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one?
The InChIKey is NMQOZBZSNASDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O/c13-7-1-2-8-11(10(7)14)17-12(16-8)6-5-15-4-3-9(6)18/h1-5H,(H,15,18)(H,16,17).
What are the key properties of 3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one?
3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one has a molecular weight of 247.20 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 136966594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).