3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one

C19H15F4N3O3 — CID 118692963

About 3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one

3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 118692963) has the molecular formula C19H15F4N3O3 and a molecular weight of 409.34 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one
• PubChem CID: 118692963
• Molecular Formula: C19H15F4N3O3
• Molecular Weight: 409.34 g/mol
• Exact Mass: 409.10
• IUPAC Name: 3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one
• SMILES: O=C1OCC(c2ccc(OCCC(F)F)c(F)c2F)N1c1ccc2nc[nH]c2c1
• InChI: InChI=1S/C19H15F4N3O3/c20-16(21)5-6-28-15-4-2-11(17(22)18(15)23)14-8-29-19(27)26(14)10-1-3-12-13(7-10)25-9-24-12/h1-4,7,9,14,16H,5-6,8H2,(H,24,25)
• InChIKey: GANFAVFVCFLZKE-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 67.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.34
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one (CID 118692963) is 3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one is O=C1OCC(c2ccc(OCCC(F)F)c(F)c2F)N1c1ccc2nc[nH]c2c1.

What is the InChIKey of 3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one?

The InChIKey is GANFAVFVCFLZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O3/c20-16(21)5-6-28-15-4-2-11(17(22)18(15)23)14-8-29-19(27)26(14)10-1-3-12-13(7-10)25-9-24-12/h1-4,7,9,14,16H,5-6,8H2,(H,24,25).

What are the key properties of 3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one?

3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 409.34 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118692963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).