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

C21H14F2N4OS — CID 24782903

IUPAC7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1ncsc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C21H14F2N4OS/c1-11-20(29-10-24-11)21-25-15-4-2-3-5-16(15)27(21)9-12-8-17(28)26-19-13(12)6-7-14(22)18(19)23/h2-8,10H,9H2,1H3,(H,26,28)
InChIKeyXVXARZLFMBTLPX-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.64
Rot. Bonds3

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

7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 24782903) has the molecular formula C21H14F2N4OS and a molecular weight of 408.43 g/mol. Its IUPAC name is 7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
PubChem CID24782903
Molecular FormulaC21H14F2N4OS
Molecular Weight408.43 g/mol
Exact Mass408.09
IUPAC Name7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1ncsc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C21H14F2N4OS/c1-11-20(29-10-24-11)21-25-15-4-2-3-5-16(15)27(21)9-12-8-17(28)26-19-13(12)6-7-14(22)18(19)23/h2-8,10H,9H2,1H3,(H,26,28)
InChIKeyXVXARZLFMBTLPX-UHFFFAOYSA-N
XLogP4.64
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one (CID 24782903) is 7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one is Cc1ncsc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12.
What is the InChIKey of 7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is XVXARZLFMBTLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4OS/c1-11-20(29-10-24-11)21-25-15-4-2-3-5-16(15)27(21)9-12-8-17(28)26-19-13(12)6-7-14(22)18(19)23/h2-8,10H,9H2,1H3,(H,26,28).
What are the key properties of 7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one?
7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 408.43 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 24782903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).