[4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone

C25H30F2N8O3 — CID 24849765

About [4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone

[4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone (PubChem CID 24849765) has the molecular formula C25H30F2N8O3 and a molecular weight of 528.56 g/mol. Its IUPAC name is [4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone.

Molecular Properties

• Compound Name: [4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone
• PubChem CID: 24849765
• Molecular Formula: C25H30F2N8O3
• Molecular Weight: 528.56 g/mol
• Exact Mass: 528.24
• IUPAC Name: [4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone
• SMILES: O=C(C1COCCN1)N1CCN(c2cc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
• InChI: InChI=1S/C25H30F2N8O3/c26-22(27)23-29-17-3-1-2-4-19(17)35(23)25-30-20(15-21(31-25)33-10-13-37-14-11-33)32-6-8-34(9-7-32)24(36)18-16-38-12-5-28-18/h1-4,15,18,22,28H,5-14,16H2
• InChIKey: GASZUAPQUOTCQE-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 100.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.56
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone?

The IUPAC name of [4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone (CID 24849765) is [4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone.

What is the SMILES notation for [4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone?

The canonical SMILES for [4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone is O=C(C1COCCN1)N1CCN(c2cc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.

What is the InChIKey of [4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone?

The InChIKey is GASZUAPQUOTCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N8O3/c26-22(27)23-29-17-3-1-2-4-19(17)35(23)25-30-20(15-21(31-25)33-10-13-37-14-11-33)32-6-8-34(9-7-32)24(36)18-16-38-12-5-28-18/h1-4,15,18,22,28H,5-14,16H2.

What are the key properties of [4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone?

[4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone has a molecular weight of 528.56 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-morpholin-3-ylmethanone is sourced from PubChem (CID 24849765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).