6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide

C24H20ClF2N5O5 — CID 22050646

About 6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide

6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide (PubChem CID 22050646) has the molecular formula C24H20ClF2N5O5 and a molecular weight of 531.90 g/mol. Its IUPAC name is 6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

• Compound Name: 6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide
• PubChem CID: 22050646
• Molecular Formula: C24H20ClF2N5O5
• Molecular Weight: 531.90 g/mol
• Exact Mass: 531.11
• IUPAC Name: 6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide
• SMILES: CNCC(=O)n1c(=O)n(C(N)=O)c2cc(Cn3ccc(OCc4ccc(F)cc4F)c(Cl)c3=O)ccc21
• InChI: InChI=1S/C24H20ClF2N5O5/c1-29-10-20(33)31-17-5-2-13(8-18(17)32(23(28)35)24(31)36)11-30-7-6-19(21(25)22(30)34)37-12-14-3-4-15(26)9-16(14)27/h2-9,29H,10-12H2,1H3,(H2,28,35)
• InChIKey: BECNEMJGFPTFDM-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 130.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.90
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide?

The IUPAC name of 6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide (CID 22050646) is 6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide.

What is the SMILES notation for 6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide?

The canonical SMILES for 6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide is CNCC(=O)n1c(=O)n(C(N)=O)c2cc(Cn3ccc(OCc4ccc(F)cc4F)c(Cl)c3=O)ccc21.

What is the InChIKey of 6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide?

The InChIKey is BECNEMJGFPTFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O5/c1-29-10-20(33)31-17-5-2-13(8-18(17)32(23(28)35)24(31)36)11-30-7-6-19(21(25)22(30)34)37-12-14-3-4-15(26)9-16(14)27/h2-9,29H,10-12H2,1H3,(H2,28,35).

What are the key properties of 6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide?

6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide has a molecular weight of 531.90 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 22050646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).