5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide

C24H24F3N5O3 — CID 122519180

About 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide

5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide (PubChem CID 122519180) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide
• PubChem CID: 122519180
• Molecular Formula: C24H24F3N5O3
• Molecular Weight: 487.48 g/mol
• Exact Mass: 487.18
• IUPAC Name: 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide
• SMILES: CN1C=C(n2cnc3ccccc32)N=C(C(=O)NC(c2ccc(OC(F)(F)F)cc2)C(C)(C)O)C1
• InChI: InChI=1S/C24H24F3N5O3/c1-23(2,34)21(15-8-10-16(11-9-15)35-24(25,26)27)30-22(33)18-12-31(3)13-20(29-18)32-14-28-17-6-4-5-7-19(17)32/h4-11,13-14,21,34H,12H2,1-3H3,(H,30,33)
• InChIKey: SVIVHZXZOWVSMQ-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 91.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.48
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide?

The IUPAC name of 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide (CID 122519180) is 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide.

What is the SMILES notation for 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide?

The canonical SMILES for 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide is CN1C=C(n2cnc3ccccc32)N=C(C(=O)NC(c2ccc(OC(F)(F)F)cc2)C(C)(C)O)C1.

What is the InChIKey of 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide?

The InChIKey is SVIVHZXZOWVSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c1-23(2,34)21(15-8-10-16(11-9-15)35-24(25,26)27)30-22(33)18-12-31(3)13-20(29-18)32-14-28-17-6-4-5-7-19(17)32/h4-11,13-14,21,34H,12H2,1-3H3,(H,30,33).

What are the key properties of 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide?

5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide has a molecular weight of 487.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide is sourced from PubChem (CID 122519180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).