1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone

C25H23FN4O4S — CID 167633512

About 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone

1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone (PubChem CID 167633512) has the molecular formula C25H23FN4O4S and a molecular weight of 494.55 g/mol. Its IUPAC name is 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone
• PubChem CID: 167633512
• Molecular Formula: C25H23FN4O4S
• Molecular Weight: 494.55 g/mol
• Exact Mass: 494.14
• IUPAC Name: 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone
• SMILES: CC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(C)(=O)=O)cc3C)c2n1
• InChI: InChI=1S/C25H23FN4O4S/c1-14-10-16(35(3,32)33)4-5-17(14)20-12-28-25(30-13-22(15(2)31)29-24(20)30)27-11-19-18-8-9-34-23(18)7-6-21(19)26/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,27,28)
• InChIKey: VUFKAJDBWKOQIA-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 102.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.55
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone?

The IUPAC name of 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone (CID 167633512) is 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone.

What is the SMILES notation for 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone?

The canonical SMILES for 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone is CC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(C)(=O)=O)cc3C)c2n1.

What is the InChIKey of 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone?

The InChIKey is VUFKAJDBWKOQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4S/c1-14-10-16(35(3,32)33)4-5-17(14)20-12-28-25(30-13-22(15(2)31)29-24(20)30)27-11-19-18-8-9-34-23(18)7-6-21(19)26/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,27,28).

What are the key properties of 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone?

1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone has a molecular weight of 494.55 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone is sourced from PubChem (CID 167633512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).