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

C22H14F2N4O — CID 24782902

IUPAC7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one
SMILESO=c1cc(Cn2c(-c3cccnc3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1
InChIInChI=1S/C22H14F2N4O/c23-16-8-7-15-14(10-19(29)27-21(15)20(16)24)12-28-18-6-2-1-5-17(18)26-22(28)13-4-3-9-25-11-13/h1-11H,12H2,(H,27,29)
InChIKeyKBIQKIWQFBZCSC-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.27
Rot. Bonds3

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

7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 24782902) has the molecular formula C22H14F2N4O and a molecular weight of 388.38 g/mol. Its IUPAC name is 7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one
PubChem CID24782902
Molecular FormulaC22H14F2N4O
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one
SMILESO=c1cc(Cn2c(-c3cccnc3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1
InChIInChI=1S/C22H14F2N4O/c23-16-8-7-15-14(10-19(29)27-21(15)20(16)24)12-28-18-6-2-1-5-17(18)26-22(28)13-4-3-9-25-11-13/h1-11H,12H2,(H,27,29)
InChIKeyKBIQKIWQFBZCSC-UHFFFAOYSA-N
XLogP4.27
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one (CID 24782902) is 7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one is O=c1cc(Cn2c(-c3cccnc3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1.
What is the InChIKey of 7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is KBIQKIWQFBZCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4O/c23-16-8-7-15-14(10-19(29)27-21(15)20(16)24)12-28-18-6-2-1-5-17(18)26-22(28)13-4-3-9-25-11-13/h1-11H,12H2,(H,27,29).
What are the key properties of 7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one?
7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 388.38 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 24782902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).