1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide

C25H24F2N4O4 — CID 134185883

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide
SMILESCC(C)C(COc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C25H24F2N4O4/c1-14(2)22(13-35-16-6-8-20-21(11-16)30-25(34)29-20)28-23(32)17-4-3-9-31(24(17)33)12-15-5-7-18(26)19(27)10-15/h3-11,14,22H,12-13H2,1-2H3,(H,28,32)(H2,29,30,34)
InChIKeyNGEOPSCKUJGJFG-UHFFFAOYSA-N
MW482.49 g/mol
LogP3.18
Rot. Bonds8

About 1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide (PubChem CID 134185883) has the molecular formula C25H24F2N4O4 and a molecular weight of 482.49 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide
PubChem CID134185883
Molecular FormulaC25H24F2N4O4
Molecular Weight482.49 g/mol
Exact Mass482.18
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide
SMILESCC(C)C(COc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C25H24F2N4O4/c1-14(2)22(13-35-16-6-8-20-21(11-16)30-25(34)29-20)28-23(32)17-4-3-9-31(24(17)33)12-15-5-7-18(26)19(27)10-15/h3-11,14,22H,12-13H2,1-2H3,(H,28,32)(H2,29,30,34)
InChIKeyNGEOPSCKUJGJFG-UHFFFAOYSA-N
XLogP3.18
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide (CID 134185883) is 1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide is CC(C)C(COc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide?
The InChIKey is NGEOPSCKUJGJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O4/c1-14(2)22(13-35-16-6-8-20-21(11-16)30-25(34)29-20)28-23(32)17-4-3-9-31(24(17)33)12-15-5-7-18(26)19(27)10-15/h3-11,14,22H,12-13H2,1-2H3,(H,28,32)(H2,29,30,34).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide has a molecular weight of 482.49 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[3-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]butan-2-yl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 134185883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).