4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol

C24H26FN7O2 — CID 70810466

About 4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol

4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol (PubChem CID 70810466) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol.

Molecular Properties

• Compound Name: 4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol
• PubChem CID: 70810466
• Molecular Formula: C24H26FN7O2
• Molecular Weight: 463.52 g/mol
• Exact Mass: 463.21
• IUPAC Name: 4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol
• SMILES: CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(CF)nc3ccccc32)n1)c1ccc(O)cc1
• InChI: InChI=1S/C24H26FN7O2/c1-24(2,16-7-9-17(33)10-8-16)30-21-27-22(31-11-13-34-14-12-31)29-23(28-21)32-19-6-4-3-5-18(19)26-20(32)15-25/h3-10,33H,11-15H2,1-2H3,(H,27,28,29,30)
• InChIKey: XMJMMSQUCVLLIZ-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 101.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.52
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol?

The IUPAC name of 4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol (CID 70810466) is 4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol.

What is the SMILES notation for 4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol?

The canonical SMILES for 4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol is CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(CF)nc3ccccc32)n1)c1ccc(O)cc1.

What is the InChIKey of 4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol?

The InChIKey is XMJMMSQUCVLLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-24(2,16-7-9-17(33)10-8-16)30-21-27-22(31-11-13-34-14-12-31)29-23(28-21)32-19-6-4-3-5-18(19)26-20(32)15-25/h3-10,33H,11-15H2,1-2H3,(H,27,28,29,30).

What are the key properties of 4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol?

4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol has a molecular weight of 463.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol is sourced from PubChem (CID 70810466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).