4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one

C22H16F2N4O2 — CID 24784686

IUPAC4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one
SMILESCc1noc(C)c1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C22H16F2N4O2/c1-11-19(12(2)30-27-11)22-25-16-5-3-4-6-17(16)28(22)10-13-9-18(29)26-21-14(13)7-8-15(23)20(21)24/h3-9H,10H2,1-2H3,(H,26,29)
InChIKeyUQLHUPVZAVXTRA-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.48
Rot. Bonds3

About 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one

4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one (PubChem CID 24784686) has the molecular formula C22H16F2N4O2 and a molecular weight of 406.39 g/mol. Its IUPAC name is 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one
PubChem CID24784686
Molecular FormulaC22H16F2N4O2
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one
SMILESCc1noc(C)c1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C22H16F2N4O2/c1-11-19(12(2)30-27-11)22-25-16-5-3-4-6-17(16)28(22)10-13-9-18(29)26-21-14(13)7-8-15(23)20(21)24/h3-9H,10H2,1-2H3,(H,26,29)
InChIKeyUQLHUPVZAVXTRA-UHFFFAOYSA-N
XLogP4.48
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one?
The IUPAC name of 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one (CID 24784686) is 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one?
The canonical SMILES for 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one is Cc1noc(C)c1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12.
What is the InChIKey of 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one?
The InChIKey is UQLHUPVZAVXTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2/c1-11-19(12(2)30-27-11)22-25-16-5-3-4-6-17(16)28(22)10-13-9-18(29)26-21-14(13)7-8-15(23)20(21)24/h3-9H,10H2,1-2H3,(H,26,29).
What are the key properties of 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one?
4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one has a molecular weight of 406.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-7,8-difluoro-1H-quinolin-2-one is sourced from PubChem (CID 24784686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).