3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one

C27H32F3N7O3 — CID 67980372

About 3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one

3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 67980372) has the molecular formula C27H32F3N7O3 and a molecular weight of 559.59 g/mol. Its IUPAC name is 3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one
• PubChem CID: 67980372
• Molecular Formula: C27H32F3N7O3
• Molecular Weight: 559.59 g/mol
• Exact Mass: 559.25
• IUPAC Name: 3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one
• SMILES: O=C1OC(CF)CN1C1CCC(CNc2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)CC1
• InChI: InChI=1S/C27H32F3N7O3/c28-14-19-16-36(27(38)40-19)18-7-5-17(6-8-18)15-31-26-33-22(35-9-11-39-12-10-35)13-23(34-26)37-21-4-2-1-3-20(21)32-25(37)24(29)30/h1-4,13,17-19,24H,5-12,14-16H2,(H,31,33,34)
• InChIKey: FBWMXTHXAZWUEF-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 97.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.59
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one?

The IUPAC name of 3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one (CID 67980372) is 3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one is O=C1OC(CF)CN1C1CCC(CNc2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)CC1.

What is the InChIKey of 3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one?

The InChIKey is FBWMXTHXAZWUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N7O3/c28-14-19-16-36(27(38)40-19)18-7-5-17(6-8-18)15-31-26-33-22(35-9-11-39-12-10-35)13-23(34-26)37-21-4-2-1-3-20(21)32-25(37)24(29)30/h1-4,13,17-19,24H,5-12,14-16H2,(H,31,33,34).

What are the key properties of 3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one?

3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 559.59 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-5-(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67980372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).