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

C23H16F2N4O — CID 24785968

IUPAC7,8-difluoro-4-[[2-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cnccc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C23H16F2N4O/c1-13-11-26-9-8-15(13)23-27-18-4-2-3-5-19(18)29(23)12-14-10-20(30)28-22-16(14)6-7-17(24)21(22)25/h2-11H,12H2,1H3,(H,28,30)
InChIKeyLSABCIMCWCWEEJ-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.57
Rot. Bonds3

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

7,8-difluoro-4-[[2-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 24785968) has the molecular formula C23H16F2N4O and a molecular weight of 402.40 g/mol. Its IUPAC name is 7,8-difluoro-4-[[2-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-difluoro-4-[[2-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
PubChem CID24785968
Molecular FormulaC23H16F2N4O
Molecular Weight402.40 g/mol
Exact Mass402.13
IUPAC Name7,8-difluoro-4-[[2-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cnccc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C23H16F2N4O/c1-13-11-26-9-8-15(13)23-27-18-4-2-3-5-19(18)29(23)12-14-10-20(30)28-22-16(14)6-7-17(24)21(22)25/h2-11H,12H2,1H3,(H,28,30)
InChIKeyLSABCIMCWCWEEJ-UHFFFAOYSA-N
XLogP4.57
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-[[2-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-difluoro-4-[[2-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one (CID 24785968) is 7,8-difluoro-4-[[2-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-difluoro-4-[[2-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-difluoro-4-[[2-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one is Cc1cnccc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12.
What is the InChIKey of 7,8-difluoro-4-[[2-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is LSABCIMCWCWEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O/c1-13-11-26-9-8-15(13)23-27-18-4-2-3-5-19(18)29(23)12-14-10-20(30)28-22-16(14)6-7-17(24)21(22)25/h2-11H,12H2,1H3,(H,28,30).
What are the key properties of 7,8-difluoro-4-[[2-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one?
7,8-difluoro-4-[[2-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 402.40 g/mol, XLogP of 4.57, 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-(3-methyl-4-pyridinyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 24785968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).