5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide

C25H23ClF2N4O5 — CID 22050230

IUPAC5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1ccc2c(c1)N(C(=O)C(C)(C)O)CN2C(N)=O
InChIInChI=1S/C25H23ClF2N4O5/c1-13-8-20(37-11-14-4-5-15(27)9-17(14)28)21(26)22(33)32(13)16-6-7-18-19(10-16)30(12-31(18)24(29)35)23(34)25(2,3)36/h4-10,36H,11-12H2,1-3H3,(H2,29,35)
InChIKeyGIJUKNIUJBXRTG-UHFFFAOYSA-N
MW532.93 g/mol
LogP3.62
Rot. Bonds5

About 5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide

5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide (PubChem CID 22050230) has the molecular formula C25H23ClF2N4O5 and a molecular weight of 532.93 g/mol. Its IUPAC name is 5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide.

Molecular Properties

Compound Name5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide
PubChem CID22050230
Molecular FormulaC25H23ClF2N4O5
Molecular Weight532.93 g/mol
Exact Mass532.13
IUPAC Name5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1ccc2c(c1)N(C(=O)C(C)(C)O)CN2C(N)=O
InChIInChI=1S/C25H23ClF2N4O5/c1-13-8-20(37-11-14-4-5-15(27)9-17(14)28)21(26)22(33)32(13)16-6-7-18-19(10-16)30(12-31(18)24(29)35)23(34)25(2,3)36/h4-10,36H,11-12H2,1-3H3,(H2,29,35)
InChIKeyGIJUKNIUJBXRTG-UHFFFAOYSA-N
XLogP3.62
TPSA118.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.93
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[3-(2-hydroxy-2-methylpropanoyl)-1-(3-hydroxypropanoyl)-2H-benzimidazol-5-yl]-6-methylpyridin-2-one
CID 22050498
5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-[3-(2-hydroxyacetyl)-1-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazol-5-yl]-2-methylpyrimidin-4-one
CID 21090001
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22049967
1-[[3-acetyl-1-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazol-5-yl]methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one
CID 22050975
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2-methylphenyl)pyridin-2-one
CID 141203440
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one
CID 22050902
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[2-(2-hydroxyacetyl)-3,4-dihydro-1H-isoquinolin-6-yl]-6-methylpyridin-2-one
CID 22050064
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[2-(2-hydroxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-methylpyridin-2-one
CID 22050817
3-[1-acetyl-3-[2-(methylamino)acetyl]-2H-benzimidazol-5-yl]-5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089131
3-[1-acetyl-3-(3-hydroxy-2-methylbutanoyl)-2H-benzimidazol-5-yl]-5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089124
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one
CID 22050963

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide?
The IUPAC name of 5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide (CID 22050230) is 5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide.
What is the SMILES notation for 5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide?
The canonical SMILES for 5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide is Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1ccc2c(c1)N(C(=O)C(C)(C)O)CN2C(N)=O.
What is the InChIKey of 5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide?
The InChIKey is GIJUKNIUJBXRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF2N4O5/c1-13-8-20(37-11-14-4-5-15(27)9-17(14)28)21(26)22(33)32(13)16-6-7-18-19(10-16)30(12-31(18)24(29)35)23(34)25(2,3)36/h4-10,36H,11-12H2,1-3H3,(H2,29,35).
What are the key properties of 5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide?
5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide has a molecular weight of 532.93 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazole-1-carboxamide is sourced from PubChem (CID 22050230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).