7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one

C23H14F3N3O — CID 24782141

IUPAC7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
SMILESO=c1cc(Cn2c(-c3cccc(F)c3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1
InChIInChI=1S/C23H14F3N3O/c24-15-5-3-4-13(10-15)23-27-18-6-1-2-7-19(18)29(23)12-14-11-20(30)28-22-16(14)8-9-17(25)21(22)26/h1-11H,12H2,(H,28,30)
InChIKeyMEUAVLYTYZRZGW-UHFFFAOYSA-N
MW405.38 g/mol
LogP5.01
Rot. Bonds3

About 7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one

7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 24782141) has the molecular formula C23H14F3N3O and a molecular weight of 405.38 g/mol. Its IUPAC name is 7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
PubChem CID24782141
Molecular FormulaC23H14F3N3O
Molecular Weight405.38 g/mol
Exact Mass405.11
IUPAC Name7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
SMILESO=c1cc(Cn2c(-c3cccc(F)c3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1
InChIInChI=1S/C23H14F3N3O/c24-15-5-3-4-13(10-15)23-27-18-6-1-2-7-19(18)29(23)12-14-11-20(30)28-22-16(14)8-9-17(25)21(22)26/h1-11H,12H2,(H,28,30)
InChIKeyMEUAVLYTYZRZGW-UHFFFAOYSA-N
XLogP5.01
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.38
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one
CID 24782902
4-[[2-(cyclobutadienyl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one
CID 68914589
4-[[2-[(Z)-but-2-en-2-yl]benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one
CID 59740628
7,8-difluoro-4-[(2-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]-1H-quinolin-2-one
CID 68895507
tert-butyl 4-[1-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate
CID 59740693
7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one
CID 143559211
2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 143449401
N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide
CID 175290021
2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 17000755
7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one
CID 68892708
1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243205
7,8-difluoro-4-[[2-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one
CID 68893673

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one (CID 24782141) is 7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one is O=c1cc(Cn2c(-c3cccc(F)c3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1.
What is the InChIKey of 7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is MEUAVLYTYZRZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3O/c24-15-5-3-4-13(10-15)23-27-18-6-1-2-7-19(18)29(23)12-14-11-20(30)28-22-16(14)8-9-17(25)21(22)26/h1-11H,12H2,(H,28,30).
What are the key properties of 7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one?
7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 405.38 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 24782141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).