1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole

C18H13F3N6O — CID 53250329

IUPAC1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3cnc(C)cn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C18H13F3N6O/c1-10-8-23-13(9-22-10)17-24-12-7-11(18(19,20)21)3-4-14(12)27(17)15-5-6-16(28-2)26-25-15/h3-9H,1-2H3
InChIKeyTYOCAMYKWDWDKX-UHFFFAOYSA-N
MW386.34 g/mol
LogP3.61
Rot. Bonds3

About 1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole

1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole (PubChem CID 53250329) has the molecular formula C18H13F3N6O and a molecular weight of 386.34 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole
PubChem CID53250329
Molecular FormulaC18H13F3N6O
Molecular Weight386.34 g/mol
Exact Mass386.11
IUPAC Name1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3cnc(C)cn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C18H13F3N6O/c1-10-8-23-13(9-22-10)17-24-12-7-11(18(19,20)21)3-4-14(12)27(17)15-5-6-16(28-2)26-25-15/h3-9H,1-2H3
InChIKeyTYOCAMYKWDWDKX-UHFFFAOYSA-N
XLogP3.61
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole (CID 53250329) is 1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole is COc1ccc(-n2c(-c3cnc(C)cn3)nc3cc(C(F)(F)F)ccc32)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is TYOCAMYKWDWDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O/c1-10-8-23-13(9-22-10)17-24-12-7-11(18(19,20)21)3-4-14(12)27(17)15-5-6-16(28-2)26-25-15/h3-9H,1-2H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole?
1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 386.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-2-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 53250329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).