5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine

C20H17F3N6O — CID 24752780

About 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine

5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine (PubChem CID 24752780) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine
• PubChem CID: 24752780
• Molecular Formula: C20H17F3N6O
• Molecular Weight: 414.39 g/mol
• Exact Mass: 414.14
• IUPAC Name: 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine
• SMILES: COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2cccnc2C)cn1
• InChI: InChI=1S/C20H17F3N6O/c1-12-13(4-3-7-24-12)9-25-17-10-27-18(11-26-17)29-16-6-5-14(30-2)8-15(16)28-19(29)20(21,22)23/h3-8,10-11H,9H2,1-2H3,(H,25,26)
• InChIKey: JDQMWEYEXIHKNG-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.39
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine?

The IUPAC name of 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine (CID 24752780) is 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine.

What is the SMILES notation for 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine?

The canonical SMILES for 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2cccnc2C)cn1.

What is the InChIKey of 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine?

The InChIKey is JDQMWEYEXIHKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O/c1-12-13(4-3-7-24-12)9-25-17-10-27-18(11-26-17)29-16-6-5-14(30-2)8-15(16)28-19(29)20(21,22)23/h3-8,10-11H,9H2,1-2H3,(H,25,26).

What are the key properties of 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine?

5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine has a molecular weight of 414.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 24752780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).