N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide

C22H18F2N4O2 — CID 71841245

IUPACN-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide
SMILESO=C(NCCn1c(=O)n(Cc2ccccc2)c2cccnc21)c1ccc(F)cc1F
InChIInChI=1S/C22H18F2N4O2/c23-16-8-9-17(18(24)13-16)21(29)26-11-12-27-20-19(7-4-10-25-20)28(22(27)30)14-15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,26,29)
InChIKeyWYCGDOXLPQEIAP-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.95
Rot. Bonds6

About N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide

N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide (PubChem CID 71841245) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide
PubChem CID71841245
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC NameN-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide
SMILESO=C(NCCn1c(=O)n(Cc2ccccc2)c2cccnc21)c1ccc(F)cc1F
InChIInChI=1S/C22H18F2N4O2/c23-16-8-9-17(18(24)13-16)21(29)26-11-12-27-20-19(7-4-10-25-20)28(22(27)30)14-15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,26,29)
InChIKeyWYCGDOXLPQEIAP-UHFFFAOYSA-N
XLogP2.95
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 71841124
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]pyridine-2-carboxamide
CID 71841230
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide
CID 71841253
4-cyano-N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 71841123
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(dimethylamino)benzamide
CID 71841244
N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide
CID 53159427
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide
CID 53159393
2-(3-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
CID 71841196
N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide
CID 71841205
N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide
CID 71841171
N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide
CID 71841173
4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 71841066

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide (CID 71841245) is N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide is O=C(NCCn1c(=O)n(Cc2ccccc2)c2cccnc21)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide?
The InChIKey is WYCGDOXLPQEIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c23-16-8-9-17(18(24)13-16)21(29)26-11-12-27-20-19(7-4-10-25-20)28(22(27)30)14-15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,26,29).
What are the key properties of N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide?
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide has a molecular weight of 408.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 71841245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).